 Entering Gaussian System, Link 0=g16
 Input=34_Cutfc2_180_STD_wB97XD-augccpVDZr.in
 Output=34_Cutfc2_180_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/34_Cutfc2_180_STD/Gau-138387.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/34_Cutfc2_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    138388.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=56GB
 %chk=34_Cutfc2_180_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=(Acc2E=11,UltraFineGrid) SCF=(NoSymm,MaxCyc=120
 ) Polar=ROA Guess=Read Geom=Check CPHF=(MaxInv=10000,RdFreq)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,27=11,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,87=11,98=1/2;
 8/6=4,10=90,11=11,87=11/1;
 10/11=10000,13=10,49=112,72=3,87=11/2;
 6/7=2,8=2,9=2,10=2,28=1,87=11/1;
 7/8=1,25=21,87=11/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 27 16:18:31 2021, MaxMem=  7516192768 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "34_Cutfc2_180_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 2
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 5.099189000000      0.440206000000     -1.428409000000
  C                                                 4.731367000000     -0.240607000000     -0.085627000000
  C                                                 3.223966000000     -0.413575000000     -0.107245000000
  C                                                 2.685578000000      0.888598000000      0.050956000000
  C                                                 3.857708000000      1.846944000000      0.170466000000
  C                                                 4.459164000000      1.846107000000     -1.275796000000
  C                                                 4.878568000000      0.930415000000      0.934933000000
  O                                                 1.485437000000      1.253491000000      0.059935000000
  Cu                                                0.000100000000      0.000628000000     -0.111188000000
  O                                                 1.155806000000     -1.546914000000     -0.283129000000
  C                                                 2.427016000000     -1.519432000000     -0.275967000000
  C                                                 3.097988000000     -2.895910000000     -0.446361000000
  F                                                 3.746500000000     -3.253326000000      0.684028000000
  C                                                 3.525621000000      3.209255000000      0.729727000000
  C                                                 6.288600000000      1.512264000000      1.023048000000
  C                                                 4.431398000000      0.565329000000      2.351712000000
  O                                                -1.484776000000     -1.252395000000      0.062240000000
  C                                                -2.685073000000     -0.888091000000      0.052533000000
  C                                                -3.856654000000     -1.847121000000      0.171372000000
  C                                                -4.879081000000     -0.931125000000      0.934122000000
  C                                                -4.731450000000      0.239700000000     -0.086568000000
  C                                                -3.224067000000      0.413721000000     -0.106548000000
  C                                                -5.096948000000     -0.441777000000     -1.429742000000
  C                                                -4.456232000000     -1.847217000000     -1.275752000000
  C                                                -4.434200000000     -0.565116000000      2.351407000000
  C                                                -6.288814000000     -1.513979000000      1.020449000000
  C                                                -3.524139000000     -3.208880000000      0.731602000000
  C                                                -2.427505000000      1.519898000000     -0.275246000000
  C                                                -3.098928000000      2.896075000000     -0.446098000000
  F                                                -3.748035000000      3.253436000000      0.683949000000
  O                                                -1.156290000000      1.547906000000     -0.282123000000
  F                                                -4.015383000000      2.869040000000     -1.437941000000
  F                                                -2.221369000000      3.854951000000     -0.731289000000
  F                                                 2.220196000000     -3.854504000000     -0.731746000000
  F                                                 4.014874000000     -2.869434000000     -1.437825000000
  H                                                -5.193611000000     -2.645511000000     -1.356540000000
  H                                                -3.684327000000     -2.048367000000     -2.018226000000
  H                                                -6.176309000000     -0.504616000000     -1.564390000000
  H                                                -4.693640000000      0.114211000000     -2.273497000000
  H                                                -5.304693000000      1.133517000000      0.143304000000
  H                                                -3.427207000000     -0.151786000000      2.387118000000
  H                                                -4.460809000000     -1.442475000000      3.000035000000
  H                                                -5.110963000000      0.178663000000      2.776572000000
  H                                                -6.681562000000     -1.855923000000      0.066139000000
  H                                                -6.976490000000     -0.760930000000      1.411632000000
  H                                                -6.307299000000     -2.360780000000      1.708786000000
  H                                                -2.775352000000     -3.706325000000      0.114374000000
  H                                                -4.414073000000     -3.839066000000      0.763825000000
  H                                                -3.117149000000     -3.135162000000      1.740847000000
  H                                                 4.455851000000      1.443442000000      2.999407000000
  H                                                 3.424754000000      0.151031000000      2.385787000000
  H                                                 5.108062000000     -0.177342000000      2.778949000000
  H                                                 6.306680000000      2.359398000000      1.710998000000
  H                                                 6.975033000000      0.758853000000      1.415687000000
  H                                                 6.683210000000      1.853370000000      0.069195000000
  H                                                 6.178793000000      0.502379000000     -1.561409000000
  H                                                 4.696804000000     -0.115850000000     -2.272564000000
  H                                                 3.688368000000      2.047471000000     -2.019358000000
  H                                                 5.197113000000      2.643970000000     -1.355751000000
  H                                                 5.303585000000     -1.134834000000      0.145257000000
  H                                                 4.416122000000      3.838641000000      0.762925000000
  H                                                 2.778203000000      3.707158000000      0.111199000000
  H                                                 3.117094000000      3.136380000000      1.738400000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     63 NQM=       63 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          16          63          16
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  62.9295992  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           3           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000  25.5200000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000 -22.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.2233000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000  29.0000000   8.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          19          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  18.9984033  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           1           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   6.7500000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.6288670   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   9.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          19
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  18.9984033
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   6.7500000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.6288670
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   9.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=          16          19          19          19          19           1           1           1           1           1
 AtmWgt=  15.9949146  18.9984033  18.9984033  18.9984033  18.9984033   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   5.6000000   6.7500000   6.7500000   6.7500000   6.7500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.6288670   2.6288670   2.6288670   2.6288670   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   9.0000000   9.0000000   9.0000000   9.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47          48          49          50
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        51          52          53          54          55          56          57          58          59          60
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        61          62          63
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 27 16:18:31 2021, MaxMem=  7516192768 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
 Stoichiometry    C24H28CuF6O4(2)
 Framework group  C1[X(C24H28CuF6O4)]
 Deg. of freedom   183
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        5.099189    0.440206   -1.428409
      2          6           0        4.731367   -0.240607   -0.085627
      3          6           0        3.223966   -0.413575   -0.107245
      4          6           0        2.685578    0.888598    0.050956
      5          6           0        3.857708    1.846944    0.170466
      6          6           0        4.459164    1.846107   -1.275796
      7          6           0        4.878568    0.930415    0.934933
      8          8           0        1.485437    1.253491    0.059935
      9         29           0        0.000100    0.000628   -0.111188
     10          8           0        1.155806   -1.546914   -0.283129
     11          6           0        2.427016   -1.519432   -0.275967
     12          6           0        3.097988   -2.895910   -0.446361
     13          9           0        3.746500   -3.253326    0.684028
     14          6           0        3.525621    3.209255    0.729727
     15          6           0        6.288600    1.512264    1.023048
     16          6           0        4.431398    0.565329    2.351712
     17          8           0       -1.484776   -1.252395    0.062240
     18          6           0       -2.685073   -0.888091    0.052533
     19          6           0       -3.856654   -1.847121    0.171372
     20          6           0       -4.879081   -0.931125    0.934122
     21          6           0       -4.731450    0.239700   -0.086568
     22          6           0       -3.224067    0.413721   -0.106548
     23          6           0       -5.096948   -0.441777   -1.429742
     24          6           0       -4.456232   -1.847217   -1.275752
     25          6           0       -4.434200   -0.565116    2.351407
     26          6           0       -6.288814   -1.513979    1.020449
     27          6           0       -3.524139   -3.208880    0.731602
     28          6           0       -2.427505    1.519898   -0.275246
     29          6           0       -3.098928    2.896075   -0.446098
     30          9           0       -3.748035    3.253436    0.683949
     31          8           0       -1.156290    1.547906   -0.282123
     32          9           0       -4.015383    2.869040   -1.437941
     33          9           0       -2.221369    3.854951   -0.731289
     34          9           0        2.220196   -3.854504   -0.731746
     35          9           0        4.014874   -2.869434   -1.437825
     36          1           0       -5.193611   -2.645511   -1.356540
     37          1           0       -3.684327   -2.048367   -2.018226
     38          1           0       -6.176309   -0.504616   -1.564390
     39          1           0       -4.693640    0.114211   -2.273497
     40          1           0       -5.304693    1.133517    0.143304
     41          1           0       -3.427207   -0.151786    2.387118
     42          1           0       -4.460809   -1.442475    3.000035
     43          1           0       -5.110963    0.178663    2.776572
     44          1           0       -6.681562   -1.855923    0.066139
     45          1           0       -6.976490   -0.760930    1.411632
     46          1           0       -6.307299   -2.360780    1.708786
     47          1           0       -2.775352   -3.706325    0.114374
     48          1           0       -4.414073   -3.839066    0.763825
     49          1           0       -3.117149   -3.135162    1.740847
     50          1           0        4.455851    1.443442    2.999407
     51          1           0        3.424754    0.151031    2.385787
     52          1           0        5.108062   -0.177342    2.778949
     53          1           0        6.306680    2.359398    1.710998
     54          1           0        6.975033    0.758853    1.415687
     55          1           0        6.683210    1.853370    0.069195
     56          1           0        6.178793    0.502379   -1.561409
     57          1           0        4.696804   -0.115850   -2.272564
     58          1           0        3.688368    2.047471   -2.019358
     59          1           0        5.197113    2.643970   -1.355751
     60          1           0        5.303585   -1.134834    0.145257
     61          1           0        4.416122    3.838641    0.762925
     62          1           0        2.778203    3.707158    0.111199
     63          1           0        3.117094    3.136380    1.738400
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.1806786           0.0651713           0.0528734
 Leave Link  202 at Fri Aug 27 16:18:31 2021, MaxMem=  7516192768 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      36     37     38     39     40     41     42     43     44     45
 Centers:      46     47     48     49     50     51     52     53     54     55
 Centers:      56     57     58     59     60     61     62     63
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     14
 Centers:      15     16     18     19     20     21     22     23     24     25
 Centers:      26     27     28     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8     10     17     31
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     30     32     33     34     35
 S 9 1.00
     Exponent=  1.4710000000D+04 Coefficients=  7.2100000000D-04
     Exponent=  2.2070000000D+03 Coefficients=  5.5530000000D-03
     Exponent=  5.0280000000D+02 Coefficients=  2.8267000000D-02
     Exponent=  1.4260000000D+02 Coefficients=  1.0644400000D-01
     Exponent=  4.6470000000D+01 Coefficients=  2.8681400000D-01
     Exponent=  1.6700000000D+01 Coefficients=  4.4864100000D-01
     Exponent=  6.3560000000D+00 Coefficients=  2.6476100000D-01
     Exponent=  1.3160000000D+00 Coefficients=  1.5333000000D-02
     Exponent=  3.8970000000D-01 Coefficients= -2.3320000000D-03
 S 9 1.00
     Exponent=  1.4710000000D+04 Coefficients= -1.6500000000D-04
     Exponent=  2.2070000000D+03 Coefficients= -1.3080000000D-03
     Exponent=  5.0280000000D+02 Coefficients= -6.4950000000D-03
     Exponent=  1.4260000000D+02 Coefficients= -2.6691000000D-02
     Exponent=  4.6470000000D+01 Coefficients= -7.3690000000D-02
     Exponent=  1.6700000000D+01 Coefficients= -1.7077600000D-01
     Exponent=  6.3560000000D+00 Coefficients= -1.1232700000D-01
     Exponent=  1.3160000000D+00 Coefficients=  5.6281400000D-01
     Exponent=  3.8970000000D-01 Coefficients=  5.6877800000D-01
 S 1 1.00
     Exponent=  3.8970000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.8630000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  2.2670000000D+01 Coefficients=  4.4878000000D-02
     Exponent=  4.9770000000D+00 Coefficients=  2.3571800000D-01
     Exponent=  1.3470000000D+00 Coefficients=  5.0852100000D-01
     Exponent=  3.4710000000D-01 Coefficients=  4.5812000000D-01
 P 1 1.00
     Exponent=  3.4710000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.5020000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6400000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.6400000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients=  7.8010260000D-06
     Exponent=  8.1316650000D+05 Coefficients=  6.0656660000D-05
     Exponent=  1.8505440000D+05 Coefficients=  3.1889640000D-04
     Exponent=  5.2414660000D+04 Coefficients=  1.3446870000D-03
     Exponent=  1.7098680000D+04 Coefficients=  4.8690500000D-03
     Exponent=  6.1719940000D+03 Coefficients=  1.5610130000D-02
     Exponent=  2.4064810000D+03 Coefficients=  4.4520770000D-02
     Exponent=  9.9725840000D+02 Coefficients=  1.1031110000D-01
     Exponent=  4.3392890000D+02 Coefficients=  2.2203420000D-01
     Exponent=  1.9628690000D+02 Coefficients=  3.1337390000D-01
     Exponent=  9.1042800000D+01 Coefficients=  2.3151210000D-01
     Exponent=  4.1384250000D+01 Coefficients=  7.6409200000D-02
     Exponent=  1.9932780000D+01 Coefficients=  1.1038180000D-01
     Exponent=  9.5818910000D+00 Coefficients=  1.0943720000D-01
     Exponent=  4.2345160000D+00 Coefficients=  1.8363110000D-02
     Exponent=  1.9858140000D+00 Coefficients= -6.0430840000D-04
     Exponent=  8.6708300000D-01 Coefficients=  5.0922450000D-05
     Exponent=  1.8133900000D-01 Coefficients= -5.5407300000D-05
     Exponent=  8.3657000000D-02 Coefficients=  3.9694820000D-05
     Exponent=  3.6267000000D-02 Coefficients= -1.2695380000D-05
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients= -4.4047060000D-06
     Exponent=  8.1316650000D+05 Coefficients= -3.4248010000D-05
     Exponent=  1.8505440000D+05 Coefficients= -1.8012380000D-04
     Exponent=  5.2414660000D+04 Coefficients= -7.6004550000D-04
     Exponent=  1.7098680000D+04 Coefficients= -2.7593480000D-03
     Exponent=  6.1719940000D+03 Coefficients= -8.9009700000D-03
     Exponent=  2.4064810000D+03 Coefficients= -2.5793780000D-02
     Exponent=  9.9725840000D+02 Coefficients= -6.6238610000D-02
     Exponent=  4.3392890000D+02 Coefficients= -1.4459270000D-01
     Exponent=  1.9628690000D+02 Coefficients= -2.4401100000D-01
     Exponent=  9.1042800000D+01 Coefficients= -2.5048370000D-01
     Exponent=  4.1384250000D+01 Coefficients=  2.8525770000D-02
     Exponent=  1.9932780000D+01 Coefficients=  5.1158740000D-01
     Exponent=  9.5818910000D+00 Coefficients=  4.9280610000D-01
     Exponent=  4.2345160000D+00 Coefficients=  8.7884370000D-02
     Exponent=  1.9858140000D+00 Coefficients= -5.8202810000D-03
     Exponent=  8.6708300000D-01 Coefficients=  2.0135080000D-04
     Exponent=  1.8133900000D-01 Coefficients= -5.1825530000D-04
     Exponent=  8.3657000000D-02 Coefficients=  3.7315030000D-04
     Exponent=  3.6267000000D-02 Coefficients= -1.1931710000D-04
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients=  9.7046820000D-07
     Exponent=  8.1316650000D+05 Coefficients=  7.5492450000D-06
     Exponent=  1.8505440000D+05 Coefficients=  3.9688920000D-05
     Exponent=  5.2414660000D+04 Coefficients=  1.6772000000D-04
     Exponent=  1.7098680000D+04 Coefficients=  6.0951010000D-04
     Exponent=  6.1719940000D+03 Coefficients=  1.9788460000D-03
     Exponent=  2.4064810000D+03 Coefficients=  5.7980490000D-03
     Exponent=  9.9725840000D+02 Coefficients=  1.5341580000D-02
     Exponent=  4.3392890000D+02 Coefficients=  3.5404840000D-02
     Exponent=  1.9628690000D+02 Coefficients=  6.7020980000D-02
     Exponent=  9.1042800000D+01 Coefficients=  8.0269450000D-02
     Exponent=  4.1384250000D+01 Coefficients= -1.9272310000D-02
     Exponent=  1.9932780000D+01 Coefficients= -3.1601290000D-01
     Exponent=  9.5818910000D+00 Coefficients= -4.5731620000D-01
     Exponent=  4.2345160000D+00 Coefficients=  1.5508410000D-01
     Exponent=  1.9858140000D+00 Coefficients=  7.2028720000D-01
     Exponent=  8.6708300000D-01 Coefficients=  3.8851220000D-01
     Exponent=  1.8133900000D-01 Coefficients=  1.9243260000D-02
     Exponent=  8.3657000000D-02 Coefficients= -7.1038070000D-03
     Exponent=  3.6267000000D-02 Coefficients=  3.2729060000D-03
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients= -1.9593540000D-07
     Exponent=  8.1316650000D+05 Coefficients= -1.5234720000D-06
     Exponent=  1.8505440000D+05 Coefficients= -8.0148080000D-06
     Exponent=  5.2414660000D+04 Coefficients= -3.3839920000D-05
     Exponent=  1.7098680000D+04 Coefficients= -1.2311910000D-04
     Exponent=  6.1719940000D+03 Coefficients= -3.9920850000D-04
     Exponent=  2.4064810000D+03 Coefficients= -1.1719000000D-03
     Exponent=  9.9725840000D+02 Coefficients= -3.0961410000D-03
     Exponent=  4.3392890000D+02 Coefficients= -7.1719930000D-03
     Exponent=  1.9628690000D+02 Coefficients= -1.3566210000D-02
     Exponent=  9.1042800000D+01 Coefficients= -1.6439890000D-02
     Exponent=  4.1384250000D+01 Coefficients=  4.1076280000D-03
     Exponent=  1.9932780000D+01 Coefficients=  6.6939640000D-02
     Exponent=  9.5818910000D+00 Coefficients=  1.0282210000D-01
     Exponent=  4.2345160000D+00 Coefficients= -4.4229450000D-02
     Exponent=  1.9858140000D+00 Coefficients= -2.0311910000D-01
     Exponent=  8.6708300000D-01 Coefficients= -2.2300220000D-01
     Exponent=  1.8133900000D-01 Coefficients=  2.5179750000D-01
     Exponent=  8.3657000000D-02 Coefficients=  5.6500910000D-01
     Exponent=  3.6267000000D-02 Coefficients=  3.2472430000D-01
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients= -3.5322290000D-07
     Exponent=  8.1316650000D+05 Coefficients= -2.7988120000D-06
     Exponent=  1.8505440000D+05 Coefficients= -1.4325170000D-05
     Exponent=  5.2414660000D+04 Coefficients= -6.2709460000D-05
     Exponent=  1.7098680000D+04 Coefficients= -2.1794900000D-04
     Exponent=  6.1719940000D+03 Coefficients= -7.4743160000D-04
     Exponent=  2.4064810000D+03 Coefficients= -2.0492710000D-03
     Exponent=  9.9725840000D+02 Coefficients= -5.8852030000D-03
     Exponent=  4.3392890000D+02 Coefficients= -1.2268850000D-02
     Exponent=  1.9628690000D+02 Coefficients= -2.6831470000D-02
     Exponent=  9.1042800000D+01 Coefficients= -2.4792610000D-02
     Exponent=  4.1384250000D+01 Coefficients= -5.9847460000D-03
     Exponent=  1.9932780000D+01 Coefficients=  1.5571240000D-01
     Exponent=  9.5818910000D+00 Coefficients=  1.4366830000D-01
     Exponent=  4.2345160000D+00 Coefficients=  8.3741030000D-03
     Exponent=  1.9858140000D+00 Coefficients= -7.4607110000D-01
     Exponent=  8.6708300000D-01 Coefficients=  1.2443670000D-01
     Exponent=  1.8133900000D-01 Coefficients=  1.5101100000D+00
     Exponent=  8.3657000000D-02 Coefficients= -3.4771220000D-01
     Exponent=  3.6267000000D-02 Coefficients= -9.7741690000D-01
 S 1 1.00
     Exponent=  3.6267000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5720000000D-02 Coefficients=  1.0000000000D+00
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  4.0000000000D-05
     Exponent=  5.3876790000D+03 Coefficients=  3.6100000000D-04
     Exponent=  1.7499450000D+03 Coefficients=  2.0830000000D-03
     Exponent=  6.6966530000D+02 Coefficients=  9.1970000000D-03
     Exponent=  2.8419480000D+02 Coefficients=  3.2660000000D-02
     Exponent=  1.2960770000D+02 Coefficients=  9.3795000000D-02
     Exponent=  6.2254150000D+01 Coefficients=  2.0827400000D-01
     Exponent=  3.0929640000D+01 Coefficients=  3.3399300000D-01
     Exponent=  1.5758270000D+01 Coefficients=  3.3249300000D-01
     Exponent=  8.0942110000D+00 Coefficients=  1.5472800000D-01
     Exponent=  4.0469210000D+00 Coefficients=  2.1271000000D-02
     Exponent=  1.9678690000D+00 Coefficients= -1.6900000000D-03
     Exponent=  9.2529500000D-01 Coefficients= -1.5160000000D-03
     Exponent=  3.5299200000D-01 Coefficients= -2.4200000000D-04
     Exponent=  1.2730700000D-01 Coefficients=  2.3000000000D-05
     Exponent=  4.4356000000D-02 Coefficients= -9.0000000000D-06
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients= -1.5000000000D-05
     Exponent=  5.3876790000D+03 Coefficients= -1.3100000000D-04
     Exponent=  1.7499450000D+03 Coefficients= -7.5500000000D-04
     Exponent=  6.6966530000D+02 Coefficients= -3.3590000000D-03
     Exponent=  2.8419480000D+02 Coefficients= -1.2081000000D-02
     Exponent=  1.2960770000D+02 Coefficients= -3.5703000000D-02
     Exponent=  6.2254150000D+01 Coefficients= -8.2502000000D-02
     Exponent=  3.0929640000D+01 Coefficients= -1.3989000000D-01
     Exponent=  1.5758270000D+01 Coefficients= -1.4072900000D-01
     Exponent=  8.0942110000D+00 Coefficients=  3.8766000000D-02
     Exponent=  4.0469210000D+00 Coefficients=  3.4269500000D-01
     Exponent=  1.9678690000D+00 Coefficients=  4.5231000000D-01
     Exponent=  9.2529500000D-01 Coefficients=  2.7705400000D-01
     Exponent=  3.5299200000D-01 Coefficients=  4.3885000000D-02
     Exponent=  1.2730700000D-01 Coefficients= -2.8020000000D-03
     Exponent=  4.4356000000D-02 Coefficients=  1.1520000000D-03
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  3.0000000000D-06
     Exponent=  5.3876790000D+03 Coefficients=  2.5000000000D-05
     Exponent=  1.7499450000D+03 Coefficients=  1.4700000000D-04
     Exponent=  6.6966530000D+02 Coefficients=  6.5600000000D-04
     Exponent=  2.8419480000D+02 Coefficients=  2.3510000000D-03
     Exponent=  1.2960770000D+02 Coefficients=  7.0040000000D-03
     Exponent=  6.2254150000D+01 Coefficients=  1.6131000000D-02
     Exponent=  3.0929640000D+01 Coefficients=  2.7770000000D-02
     Exponent=  1.5758270000D+01 Coefficients=  2.7567000000D-02
     Exponent=  8.0942110000D+00 Coefficients= -1.0115000000D-02
     Exponent=  4.0469210000D+00 Coefficients= -8.1009000000D-02
     Exponent=  1.9678690000D+00 Coefficients= -1.1040900000D-01
     Exponent=  9.2529500000D-01 Coefficients= -7.1732000000D-02
     Exponent=  3.5299200000D-01 Coefficients=  1.8793000000D-01
     Exponent=  1.2730700000D-01 Coefficients=  5.6462900000D-01
     Exponent=  4.4356000000D-02 Coefficients=  4.0700000000D-01
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  5.0000000000D-06
     Exponent=  5.3876790000D+03 Coefficients=  4.9000000000D-05
     Exponent=  1.7499450000D+03 Coefficients=  2.7800000000D-04
     Exponent=  6.6966530000D+02 Coefficients=  1.2530000000D-03
     Exponent=  2.8419480000D+02 Coefficients=  4.4470000000D-03
     Exponent=  1.2960770000D+02 Coefficients=  1.3370000000D-02
     Exponent=  6.2254150000D+01 Coefficients=  3.0469000000D-02
     Exponent=  3.0929640000D+01 Coefficients=  5.3447000000D-02
     Exponent=  1.5758270000D+01 Coefficients=  5.2639000000D-02
     Exponent=  8.0942110000D+00 Coefficients= -1.6881000000D-02
     Exponent=  4.0469210000D+00 Coefficients= -1.7944800000D-01
     Exponent=  1.9678690000D+00 Coefficients= -2.0958800000D-01
     Exponent=  9.2529500000D-01 Coefficients= -3.9633000000D-02
     Exponent=  3.5299200000D-01 Coefficients=  5.0213000000D-01
     Exponent=  1.2730700000D-01 Coefficients=  5.8111100000D-01
     Exponent=  4.4356000000D-02 Coefficients=  4.5666000000D-02
 P 1 1.00
     Exponent=  4.4356000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5450000000D-02 Coefficients=  1.0000000000D+00
 D 8 1.00
     Exponent=  1.7389700000D+02 Coefficients=  2.7000000000D-03
     Exponent=  5.1886900000D+01 Coefficients=  2.0909000000D-02
     Exponent=  1.9341900000D+01 Coefficients=  8.4408000000D-02
     Exponent=  7.9757200000D+00 Coefficients=  2.1399900000D-01
     Exponent=  3.3982300000D+00 Coefficients=  3.3598000000D-01
     Exponent=  1.4093200000D+00 Coefficients=  3.5730100000D-01
     Exponent=  5.4885800000D-01 Coefficients=  2.6457800000D-01
     Exponent=  1.9019900000D-01 Coefficients=  1.0397200000D-01
 D 8 1.00
     Exponent=  1.7389700000D+02 Coefficients= -3.3630000000D-03
     Exponent=  5.1886900000D+01 Coefficients= -2.6079000000D-02
     Exponent=  1.9341900000D+01 Coefficients= -1.0823100000D-01
     Exponent=  7.9757200000D+00 Coefficients= -2.8221700000D-01
     Exponent=  3.3982300000D+00 Coefficients= -3.4719000000D-01
     Exponent=  1.4093200000D+00 Coefficients=  2.6711000000D-02
     Exponent=  5.4885800000D-01 Coefficients=  4.9204700000D-01
     Exponent=  1.9019900000D-01 Coefficients=  4.3842200000D-01
 D 1 1.00
     Exponent=  1.9019900000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.5910000000D-02 Coefficients=  1.0000000000D+00
 F 2 1.00
     Exponent=  5.0286000000D+00 Coefficients=  4.2428000000D-01
     Exponent=  1.2594000000D+00 Coefficients=  7.6302500000D-01
 F 1 1.00
     Exponent=  4.6172000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  166 primitive shells out of 1365 were deleted.
 There are  1171 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1093 symmetry adapted basis functions of A   symmetry.
  1093 basis functions,  2248 primitive gaussians,  1171 cartesian basis functions
   144 alpha electrons      143 beta electrons
       nuclear repulsion energy      4927.4744946401 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   63 NActive=   63 NUniq=   63 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0661028255 Hartrees.
 Nuclear repulsion after empirical dispersion term =     4927.4083918145 Hartrees.
 Leave Link  301 at Fri Aug 27 16:18:32 2021, MaxMem=  7516192768 cpu:               9.6 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=  1093 RedAO= T EigKep=  1.24D-06  NBF=  1093
 NBsUse=  1089 1.00D-06 EigRej=  8.73D-07 NBFU=  1089
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 1.00D-11.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=  1163  1163  1163  1163  1163 MxSgAt=    63 MxSgA2=    63.
 Leave Link  302 at Fri Aug 27 16:18:36 2021, MaxMem=  7516192768 cpu:              24.0 elap:               3.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 27 16:18:36 2021, MaxMem=  7516192768 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "34_Cutfc2_180_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7526 S= 0.5013
 Leave Link  401 at Fri Aug 27 16:18:44 2021, MaxMem=  7516192768 cpu:              62.1 elap:               7.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 UHF open shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  7516192768 LenX=  7513430209 LenY=  7512057797
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=T IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FMM levels:  10  Number of levels for PrismC:   9
 E= -3471.75690691893    
 DIIS: error= 4.47D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3471.75690691893     IErMin= 1 ErrMin= 4.47D-03
 ErrMax= 4.47D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-01 BMatP= 1.50D-01
 IDIUse=3 WtCom= 9.55D-01 WtEn= 4.47D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.258 Goal=   None    Shift=    0.000
 GapD=    0.258 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.99D-02 MaxDP=3.44D+00              OVMax= 2.21D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.91D-02    CP:  1.17D+00
 E= -3471.77776740983     Delta-E=       -0.020860490893 Rises=F Damp=F
 DIIS: error= 2.10D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3471.77776740983     IErMin= 2 ErrMin= 2.10D-03
 ErrMax= 2.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-02 BMatP= 1.50D-01
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.10D-02
 Coeff-Com:  0.844D-01 0.916D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.826D-01 0.917D+00
 Gap=     0.306 Goal=   None    Shift=    0.000
 Gap=     0.278 Goal=   None    Shift=    0.000
 RMSDP=2.55D-03 MaxDP=5.47D-01 DE=-2.09D-02 OVMax= 3.03D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.12D-03    CP:  1.21D+00  1.10D+00
 E= -3471.77674409848     Delta-E=        0.001023311350 Rises=F Damp=F
 DIIS: error= 3.00D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -3471.77776740983     IErMin= 2 ErrMin= 2.10D-03
 ErrMax= 3.00D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.42D-02 BMatP= 1.16D-02
 IDIUse=3 WtCom= 1.54D-01 WtEn= 8.46D-01
 Coeff-Com: -0.234D-01 0.649D+00 0.375D+00
 Coeff-En:   0.000D+00 0.608D+00 0.392D+00
 Coeff:     -0.361D-02 0.614D+00 0.390D+00
 Gap=     0.306 Goal=   None    Shift=    0.000
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=4.53D-04 MaxDP=7.58D-02 DE= 1.02D-03 OVMax= 8.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.63D-04    CP:  1.22D+00  1.11D+00  9.80D-01
 E= -3471.77959801542     Delta-E=       -0.002853916940 Rises=F Damp=F
 DIIS: error= 7.22D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3471.77959801542     IErMin= 4 ErrMin= 7.22D-04
 ErrMax= 7.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-03 BMatP= 1.16D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.22D-03
 Coeff-Com: -0.198D-01 0.272D+00 0.210D+00 0.538D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.197D-01 0.270D+00 0.208D+00 0.541D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=1.87D-04 MaxDP=3.56D-02 DE=-2.85D-03 OVMax= 6.47D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.07D-05    CP:  1.22D+00  1.12D+00  1.07D+00  9.62D-01
 E= -3471.77974078976     Delta-E=       -0.000142774348 Rises=F Damp=F
 DIIS: error= 2.21D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3471.77974078976     IErMin= 5 ErrMin= 2.21D-04
 ErrMax= 2.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-04 BMatP= 1.07D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.21D-03
 Coeff-Com:  0.501D-03-0.662D-01-0.587D-01 0.174D+00 0.951D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.500D-03-0.660D-01-0.585D-01 0.173D+00 0.951D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.268 Goal=   None    Shift=    0.000
 RMSDP=8.25D-05 MaxDP=1.57D-02 DE=-1.43D-04 OVMax= 4.82D-03

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.07D-05    CP:  1.22D+00  1.12D+00  1.10D+00  1.07D+00  1.40D+00
 E= -3471.77978673111     Delta-E=       -0.000045941346 Rises=F Damp=F
 DIIS: error= 8.23D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3471.77978673111     IErMin= 6 ErrMin= 8.23D-05
 ErrMax= 8.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-05 BMatP= 1.47D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.331D-02-0.706D-01-0.682D-01 0.127D-01 0.416D+00 0.707D+00
 Coeff:      0.331D-02-0.706D-01-0.682D-01 0.127D-01 0.416D+00 0.707D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.16D-05 MaxDP=1.51D-03 DE=-4.59D-05 OVMax= 2.58D-03

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.53D-05    CP:  1.22D+00  1.12D+00  1.10D+00  1.09D+00  1.63D+00
                    CP:  1.12D+00
 E= -3471.77979899727     Delta-E=       -0.000012266159 Rises=F Damp=F
 DIIS: error= 4.81D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3471.77979899727     IErMin= 7 ErrMin= 4.81D-05
 ErrMax= 4.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.57D-06 BMatP= 3.14D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.141D-02-0.101D-01-0.176D-01-0.304D-01-0.141D+00 0.318D+00
 Coeff-Com:  0.880D+00
 Coeff:      0.141D-02-0.101D-01-0.176D-01-0.304D-01-0.141D+00 0.318D+00
 Coeff:      0.880D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.70D-05 MaxDP=2.44D-03 DE=-1.23D-05 OVMax= 1.86D-03

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.83D-06    CP:  1.22D+00  1.12D+00  1.10D+00  1.10D+00  1.70D+00
                    CP:  1.27D+00  1.29D+00
 E= -3471.77980336008     Delta-E=       -0.000004362810 Rises=F Damp=F
 DIIS: error= 2.12D-05 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3471.77980336008     IErMin= 8 ErrMin= 2.12D-05
 ErrMax= 2.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-06 BMatP= 9.57D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.240D-03 0.128D-01 0.770D-02-0.788D-02-0.179D+00-0.448D-01
 Coeff-Com:  0.341D+00 0.870D+00
 Coeff:     -0.240D-03 0.128D-01 0.770D-02-0.788D-02-0.179D+00-0.448D-01
 Coeff:      0.341D+00 0.870D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=9.23D-06 MaxDP=1.21D-03 DE=-4.36D-06 OVMax= 9.12D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.29D-06    CP:  1.22D+00  1.12D+00  1.09D+00  1.11D+00  1.72D+00
                    CP:  1.33D+00  1.43D+00  1.53D+00
 E= -3471.77980415563     Delta-E=       -0.000000795553 Rises=F Damp=F
 DIIS: error= 5.14D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3471.77980415563     IErMin= 9 ErrMin= 5.14D-06
 ErrMax= 5.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.42D-08 BMatP= 1.76D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.219D-03 0.443D-02 0.377D-02 0.179D-02-0.304D-01-0.427D-01
 Coeff-Com: -0.107D-01 0.234D+00 0.840D+00
 Coeff:     -0.219D-03 0.443D-02 0.377D-02 0.179D-02-0.304D-01-0.427D-01
 Coeff:     -0.107D-01 0.234D+00 0.840D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.28D-06 MaxDP=2.14D-04 DE=-7.96D-07 OVMax= 1.45D-04

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.65D-06    CP:  1.22D+00  1.12D+00  1.09D+00  1.11D+00  1.71D+00
                    CP:  1.33D+00  1.44D+00  1.66D+00  1.16D+00
 E= -3471.77980420268     Delta-E=       -0.000000047046 Rises=F Damp=F
 DIIS: error= 2.70D-06 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3471.77980420268     IErMin=10 ErrMin= 2.70D-06
 ErrMax= 2.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.37D-08 BMatP= 8.42D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.550D-04 0.208D-03 0.496D-03 0.183D-02 0.116D-01-0.104D-01
 Coeff-Com: -0.486D-01-0.255D-01 0.336D+00 0.734D+00
 Coeff:     -0.550D-04 0.208D-03 0.496D-03 0.183D-02 0.116D-01-0.104D-01
 Coeff:     -0.486D-01-0.255D-01 0.336D+00 0.734D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=9.89D-07 MaxDP=1.44D-04 DE=-4.70D-08 OVMax= 3.71D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.58D-07    CP:  1.22D+00  1.12D+00  1.09D+00  1.11D+00  1.71D+00
                    CP:  1.32D+00  1.45D+00  1.68D+00  1.24D+00  1.06D+00
 E= -3471.77980421527     Delta-E=       -0.000000012591 Rises=F Damp=F
 DIIS: error= 2.53D-06 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3471.77980421527     IErMin=11 ErrMin= 2.53D-06
 ErrMax= 2.53D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.16D-09 BMatP= 2.37D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.369D-04-0.103D-02-0.860D-03 0.540D-04 0.107D-01 0.788D-02
 Coeff-Com: -0.124D-01-0.664D-01-0.107D+00 0.217D+00 0.952D+00
 Coeff:      0.369D-04-0.103D-02-0.860D-03 0.540D-04 0.107D-01 0.788D-02
 Coeff:     -0.124D-01-0.664D-01-0.107D+00 0.217D+00 0.952D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=6.31D-07 MaxDP=1.07D-04 DE=-1.26D-08 OVMax= 2.81D-05

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.39D-07    CP:  1.22D+00  1.12D+00  1.10D+00  1.11D+00  1.71D+00
                    CP:  1.32D+00  1.45D+00  1.70D+00  1.25D+00  1.16D+00
                    CP:  1.19D+00
 E= -3471.77980422087     Delta-E=       -0.000000005604 Rises=F Damp=F
 DIIS: error= 1.68D-06 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3471.77980422087     IErMin=12 ErrMin= 1.68D-06
 ErrMax= 1.68D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-09 BMatP= 5.16D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-04-0.307D-03-0.301D-03-0.369D-03 0.676D-03 0.397D-02
 Coeff-Com:  0.624D-02-0.124D-01-0.916D-01-0.700D-01 0.243D+00 0.921D+00
 Coeff:      0.191D-04-0.307D-03-0.301D-03-0.369D-03 0.676D-03 0.397D-02
 Coeff:      0.624D-02-0.124D-01-0.916D-01-0.700D-01 0.243D+00 0.921D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.68D-07 MaxDP=1.79D-05 DE=-5.60D-09 OVMax= 2.15D-05

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.10D-07    CP:  1.22D+00  1.12D+00  1.10D+00  1.11D+00  1.71D+00
                    CP:  1.33D+00  1.45D+00  1.70D+00  1.25D+00  1.17D+00
                    CP:  1.32D+00  1.32D+00
 E= -3471.77980422316     Delta-E=       -0.000000002283 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -3471.77980422316     IErMin=13 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.05D-10 BMatP= 1.53D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.108D-04 0.391D-03 0.326D-03-0.168D-03-0.493D-02-0.242D-02
 Coeff-Com:  0.852D-02 0.282D-01 0.164D-01-0.132D+00-0.384D+00 0.346D+00
 Coeff-Com:  0.112D+01
 Coeff:     -0.108D-04 0.391D-03 0.326D-03-0.168D-03-0.493D-02-0.242D-02
 Coeff:      0.852D-02 0.282D-01 0.164D-01-0.132D+00-0.384D+00 0.346D+00
 Coeff:      0.112D+01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=4.19D-07 MaxDP=3.70D-05 DE=-2.28D-09 OVMax= 2.58D-05

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.01D-07    CP:  1.22D+00  1.12D+00  1.10D+00  1.11D+00  1.72D+00
                    CP:  1.33D+00  1.45D+00  1.70D+00  1.24D+00  1.16D+00
                    CP:  1.36D+00  1.94D+00  1.56D+00
 E= -3471.77980422523     Delta-E=       -0.000000002074 Rises=F Damp=F
 DIIS: error= 9.16D-07 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -3471.77980422523     IErMin=14 ErrMin= 9.16D-07
 ErrMax= 9.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.24D-10 BMatP= 8.05D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-04 0.269D-03 0.241D-03 0.871D-04-0.226D-02-0.260D-02
 Coeff-Com:  0.811D-03 0.163D-01 0.409D-01-0.268D-01-0.246D+00-0.209D+00
 Coeff-Com:  0.447D+00 0.981D+00
 Coeff:     -0.113D-04 0.269D-03 0.241D-03 0.871D-04-0.226D-02-0.260D-02
 Coeff:      0.811D-03 0.163D-01 0.409D-01-0.268D-01-0.246D+00-0.209D+00
 Coeff:      0.447D+00 0.981D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=4.54D-07 MaxDP=4.94D-05 DE=-2.07D-09 OVMax= 1.96D-05

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  2.70D-07    CP:  1.22D+00  1.12D+00  1.10D+00  1.11D+00  1.72D+00
                    CP:  1.33D+00  1.45D+00  1.71D+00  1.24D+00  1.15D+00
                    CP:  1.33D+00  2.36D+00  2.65D+00  1.68D+00
 E= -3471.77980422613     Delta-E=       -0.000000000899 Rises=F Damp=F
 DIIS: error= 5.81D-07 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -3471.77980422613     IErMin=15 ErrMin= 5.81D-07
 ErrMax= 5.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-10 BMatP= 3.24D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.362D-05-0.158D-03-0.130D-03 0.120D-03 0.226D-02 0.731D-03
 Coeff-Com: -0.452D-02-0.119D-01 0.381D-03 0.660D-01 0.163D+00-0.236D+00
 Coeff-Com: -0.536D+00 0.239D+00 0.132D+01
 Coeff:      0.362D-05-0.158D-03-0.130D-03 0.120D-03 0.226D-02 0.731D-03
 Coeff:     -0.452D-02-0.119D-01 0.381D-03 0.660D-01 0.163D+00-0.236D+00
 Coeff:     -0.536D+00 0.239D+00 0.132D+01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=7.97D-07 MaxDP=7.52D-05 DE=-8.99D-10 OVMax= 1.98D-05

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  3.88D-07    CP:  1.22D+00  1.12D+00  1.10D+00  1.11D+00  1.72D+00
                    CP:  1.32D+00  1.45D+00  1.72D+00  1.25D+00  1.17D+00
                    CP:  1.27D+00  2.86D+00  3.00D+00  3.00D+00  2.42D+00
 E= -3471.77980422692     Delta-E=       -0.000000000791 Rises=F Damp=F
 DIIS: error= 2.89D-07 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3471.77980422692     IErMin=16 ErrMin= 2.89D-07
 ErrMax= 2.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.79D-11 BMatP= 1.30D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.327D-05-0.831D-04-0.743D-04-0.326D-04 0.741D-03 0.832D-03
 Coeff-Com: -0.271D-03-0.525D-02-0.113D-01 0.917D-02 0.764D-01 0.628D-01
 Coeff-Com: -0.152D+00-0.297D+00 0.422D-01 0.127D+01
 Coeff:      0.327D-05-0.831D-04-0.743D-04-0.326D-04 0.741D-03 0.832D-03
 Coeff:     -0.271D-03-0.525D-02-0.113D-01 0.917D-02 0.764D-01 0.628D-01
 Coeff:     -0.152D+00-0.297D+00 0.422D-01 0.127D+01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=9.16D-07 MaxDP=1.03D-04 DE=-7.91D-10 OVMax= 1.05D-05

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  5.25D-07    CP:  1.22D+00  1.12D+00  1.10D+00  1.11D+00  1.72D+00
                    CP:  1.33D+00  1.45D+00  1.73D+00  1.25D+00  1.22D+00
                    CP:  1.22D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  2.64D+00
 E= -3471.77980422660     Delta-E=        0.000000000318 Rises=F Damp=F
 DIIS: error= 1.51D-07 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=16 EnMin= -3471.77980422692     IErMin=17 ErrMin= 1.51D-07
 ErrMax= 1.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-11 BMatP= 3.79D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.352D-06 0.371D-04 0.262D-04-0.518D-04-0.661D-03-0.180D-04
 Coeff-Com:  0.160D-02 0.287D-02-0.324D-02-0.229D-01-0.419D-01 0.112D+00
 Coeff-Com:  0.161D+00-0.179D+00-0.486D+00 0.346D+00 0.111D+01
 Coeff:     -0.352D-06 0.371D-04 0.262D-04-0.518D-04-0.661D-03-0.180D-04
 Coeff:      0.160D-02 0.287D-02-0.324D-02-0.229D-01-0.419D-01 0.112D+00
 Coeff:      0.161D+00-0.179D+00-0.486D+00 0.346D+00 0.111D+01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=8.50D-07 MaxDP=9.16D-05 DE= 3.18D-10 OVMax= 6.07D-06

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  5.11D-07    CP:  1.22D+00  1.12D+00  1.10D+00  1.11D+00  1.71D+00
                    CP:  1.33D+00  1.45D+00  1.73D+00  1.26D+00  1.31D+00
                    CP:  1.26D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  2.05D+00
 E= -3471.77980422798     Delta-E=       -0.000000001382 Rises=F Damp=F
 DIIS: error= 8.78D-08 at cycle  18 NSaved=  18.
 NSaved=18 IEnMin=18 EnMin= -3471.77980422798     IErMin=18 ErrMin= 8.78D-08
 ErrMax= 8.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-12 BMatP= 1.48D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.956D-06 0.345D-04 0.278D-04-0.964D-05-0.438D-03-0.215D-03
 Coeff-Com:  0.622D-03 0.239D-02 0.198D-02-0.986D-02-0.348D-01 0.229D-01
 Coeff-Com:  0.928D-01 0.180D-01-0.183D+00-0.230D+00 0.425D+00 0.894D+00
 Coeff:     -0.956D-06 0.345D-04 0.278D-04-0.964D-05-0.438D-03-0.215D-03
 Coeff:      0.622D-03 0.239D-02 0.198D-02-0.986D-02-0.348D-01 0.229D-01
 Coeff:      0.928D-01 0.180D-01-0.183D+00-0.230D+00 0.425D+00 0.894D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=5.10D-07 MaxDP=4.68D-05 DE=-1.38D-09 OVMax= 2.48D-06

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  2.40D-07    CP:  1.22D+00  1.12D+00  1.10D+00  1.11D+00  1.71D+00
                    CP:  1.33D+00  1.45D+00  1.72D+00  1.27D+00  1.36D+00
                    CP:  1.33D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  2.54D+00  1.66D+00
 E= -3471.77980422769     Delta-E=        0.000000000291 Rises=F Damp=F
 DIIS: error= 5.78D-08 at cycle  19 NSaved=  19.
 NSaved=19 IEnMin=18 EnMin= -3471.77980422798     IErMin=19 ErrMin= 5.78D-08
 ErrMax= 5.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-12 BMatP= 4.81D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-06-0.708D-06 0.844D-06 0.717D-05 0.493D-04-0.324D-04
 Coeff-Com: -0.176D-03-0.931D-04 0.794D-03 0.282D-02 0.198D-02-0.153D-01
 Coeff-Com: -0.168D-01 0.365D-01 0.559D-01-0.942D-01-0.156D+00 0.166D+00
 Coeff-Com:  0.102D+01
 Coeff:     -0.133D-06-0.708D-06 0.844D-06 0.717D-05 0.493D-04-0.324D-04
 Coeff:     -0.176D-03-0.931D-04 0.794D-03 0.282D-02 0.198D-02-0.153D-01
 Coeff:     -0.168D-01 0.365D-01 0.559D-01-0.942D-01-0.156D+00 0.166D+00
 Coeff:      0.102D+01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=3.73D-07 MaxDP=2.82D-05 DE= 2.91D-10 OVMax= 1.14D-06

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  1.52D-07    CP:  1.22D+00  1.12D+00  1.10D+00  1.11D+00  1.71D+00
                    CP:  1.33D+00  1.45D+00  1.72D+00  1.28D+00  1.39D+00
                    CP:  1.37D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  2.70D+00  1.97D+00  2.14D+00
 E= -3471.77980422745     Delta-E=        0.000000000247 Rises=F Damp=F
 DIIS: error= 4.29D-08 at cycle  20 NSaved=  20.
 NSaved=20 IEnMin=18 EnMin= -3471.77980422798     IErMin=20 ErrMin= 4.29D-08
 ErrMax= 4.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-12 BMatP= 1.68D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.374D-07-0.232D-05-0.999D-06 0.603D-05 0.589D-04-0.117D-04
 Coeff-Com: -0.159D-03-0.193D-03 0.407D-03 0.242D-02 0.303D-02-0.118D-01
 Coeff-Com: -0.163D-01 0.252D-01 0.490D-01-0.509D-01-0.126D+00 0.198D-01
 Coeff-Com:  0.556D+00 0.550D+00
 Coeff:     -0.374D-07-0.232D-05-0.999D-06 0.603D-05 0.589D-04-0.117D-04
 Coeff:     -0.159D-03-0.193D-03 0.407D-03 0.242D-02 0.303D-02-0.118D-01
 Coeff:     -0.163D-01 0.252D-01 0.490D-01-0.509D-01-0.126D+00 0.198D-01
 Coeff:      0.556D+00 0.550D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.20D-07 MaxDP=1.86D-05 DE= 2.47D-10 OVMax= 5.77D-07

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3471.77980421596     Delta-E=        0.000000011481 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle  21 NSaved=  20.
 NSaved=20 IEnMin=17 EnMin= -3471.77980422798     IErMin=19 ErrMin= 4.29D-08
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-09 BMatP= 1.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.284D-05-0.146D-05 0.577D-05 0.623D-04-0.725D-05-0.159D-03
 Coeff-Com: -0.217D-03 0.350D-03 0.244D-02 0.332D-02-0.116D-01-0.167D-01
 Coeff-Com:  0.242D-01 0.489D-01-0.481D-01-0.125D+00 0.166D-01 0.551D+00
 Coeff-Com:  0.554D+00 0.151D-02
 Coeff:     -0.284D-05-0.146D-05 0.577D-05 0.623D-04-0.725D-05-0.159D-03
 Coeff:     -0.217D-03 0.350D-03 0.244D-02 0.332D-02-0.116D-01-0.167D-01
 Coeff:      0.242D-01 0.489D-01-0.481D-01-0.125D+00 0.166D-01 0.551D+00
 Coeff:      0.554D+00 0.151D-02
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=4.19D-08 MaxDP=4.77D-06 DE= 1.15D-08 OVMax= 5.72D-09

 Cycle  22  Pass 1  IDiag  1:
 RMSU=  4.19D-08    CP:  1.00D+00
 E= -3471.77980421550     Delta-E=        0.000000000469 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle  22 NSaved=  20.
 NSaved=20 IEnMin=16 EnMin= -3471.77980422798     IErMin=18 ErrMin= 4.29D-08
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-09 BMatP= 1.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.101D-05 0.499D-05 0.409D-04-0.177D-04-0.127D-03-0.108D-03
 Coeff-Com:  0.428D-03 0.200D-02 0.198D-02-0.104D-01-0.134D-01 0.235D-01
 Coeff-Com:  0.425D-01-0.478D-01-0.116D+00 0.211D-01 0.542D+00 0.553D+00
 Coeff-Com: -0.181D+00 0.183D+00
 Coeff:     -0.101D-05 0.499D-05 0.409D-04-0.177D-04-0.127D-03-0.108D-03
 Coeff:      0.428D-03 0.200D-02 0.198D-02-0.104D-01-0.134D-01 0.235D-01
 Coeff:      0.425D-01-0.478D-01-0.116D+00 0.211D-01 0.542D+00 0.553D+00
 Coeff:     -0.181D+00 0.183D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.76D-08 MaxDP=2.68D-06 DE= 4.69D-10 OVMax= 1.41D-08

 Cycle  23  Pass 1  IDiag  1:
 RMSU=  2.74D-08    CP:  1.00D+00  1.08D+00
 E= -3471.77980421566     Delta-E=       -0.000000000166 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle  23 NSaved=  20.
 NSaved=20 IEnMin=15 EnMin= -3471.77980422798     IErMin=17 ErrMin= 4.29D-08
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-09 BMatP= 1.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.245D-05 0.226D-04-0.588D-05-0.658D-04-0.603D-04 0.202D-03
 Coeff-Com:  0.154D-02 0.191D-02-0.834D-02-0.118D-01 0.199D-01 0.361D-01
 Coeff-Com: -0.419D-01-0.101D+00 0.241D-01 0.517D+00 0.562D+00-0.592D-01
 Coeff-Com: -0.137D+00 0.197D+00
 Coeff:      0.245D-05 0.226D-04-0.588D-05-0.658D-04-0.603D-04 0.202D-03
 Coeff:      0.154D-02 0.191D-02-0.834D-02-0.118D-01 0.199D-01 0.361D-01
 Coeff:     -0.419D-01-0.101D+00 0.241D-01 0.517D+00 0.562D+00-0.592D-01
 Coeff:     -0.137D+00 0.197D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=3.89D-08 MaxDP=4.81D-06 DE=-1.66D-10 OVMax= 3.20D-08

 Cycle  24  Pass 1  IDiag  1:
 RMSU=  3.78D-08    CP:  1.00D+00  9.13D-01  8.21D-01
 E= -3471.77980421562     Delta-E=        0.000000000044 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle  24 NSaved=  20.
 NSaved=20 IEnMin=14 EnMin= -3471.77980422798     IErMin=16 ErrMin= 4.29D-08
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-09 BMatP= 1.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-04-0.371D-05-0.380D-04-0.256D-04 0.114D-03 0.114D-02
 Coeff-Com:  0.132D-02-0.642D-02-0.940D-02 0.168D-01 0.293D-01-0.347D-01
 Coeff-Com: -0.932D-01 0.196D-01 0.499D+00 0.576D+00 0.101D+00-0.269D+00
 Coeff-Com: -0.313D-01 0.199D+00
 Coeff:      0.111D-04-0.371D-05-0.380D-04-0.256D-04 0.114D-03 0.114D-02
 Coeff:      0.132D-02-0.642D-02-0.940D-02 0.168D-01 0.293D-01-0.347D-01
 Coeff:     -0.932D-01 0.196D-01 0.499D+00 0.576D+00 0.101D+00-0.269D+00
 Coeff:     -0.313D-01 0.199D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=3.83D-08 MaxDP=3.93D-06 DE= 4.37D-11 OVMax= 2.61D-08

 Cycle  25  Pass 1  IDiag  1:
 RMSU=  3.75D-08    CP:  1.00D+00  8.57D-01  6.45D-01  1.14D+00
 E= -3471.77980421592     Delta-E=       -0.000000000304 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle  25 NSaved=  20.
 NSaved=20 IEnMin=13 EnMin= -3471.77980422798     IErMin=15 ErrMin= 4.29D-08
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-09 BMatP= 1.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.342D-05-0.749D-05 0.396D-04 0.873D-04 0.798D-03 0.611D-03
 Coeff-Com: -0.560D-02-0.735D-02 0.166D-01 0.254D-01-0.368D-01-0.859D-01
 Coeff-Com:  0.261D-01 0.490D+00 0.576D+00 0.103D+00-0.264D+00-0.374D-01
 Coeff-Com:  0.177D+00 0.226D-01
 Coeff:     -0.342D-05-0.749D-05 0.396D-04 0.873D-04 0.798D-03 0.611D-03
 Coeff:     -0.560D-02-0.735D-02 0.166D-01 0.254D-01-0.368D-01-0.859D-01
 Coeff:      0.261D-01 0.490D+00 0.576D+00 0.103D+00-0.264D+00-0.374D-01
 Coeff:      0.177D+00 0.226D-01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=4.96D-09 MaxDP=5.72D-07 DE=-3.04D-10 OVMax= 1.51D-08

 Density matrix is not changing but DIIS error= 1.31D-06 CofLast= 1.77D-01.
 Cycle  26  Pass 1  IDiag  1:
 E= -3471.77980421540     Delta-E=        0.000000000520 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 1 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.90D-09 BMatP= 1.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.76D-05 MaxDP=3.15D-03 DE= 5.20D-10 OVMax= 3.78D-06

 Cycle  27  Pass 1  IDiag  1:
 RMSU=  2.76D-05    CP:  1.00D+00
 E= -3471.77980420881     Delta-E=        0.000000006592 Rises=F Damp=F
 DIIS: error= 8.44D-08 at cycle  27 NSaved=   2.
 NSaved= 2 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 2 ErrMin= 8.44D-08
 ErrMax= 8.44D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 9.24D-12 BMatP= 1.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.358D-01 0.104D+01
 Coeff:     -0.358D-01 0.104D+01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.31D-06 MaxDP=2.86D-04 DE= 6.59D-09 OVMax= 6.01D-07

 Cycle  28  Pass 1  IDiag  1:
 RMSU=  1.54D-06    CP:  1.00D+00  1.06D+00
 E= -3471.77980420913     Delta-E=       -0.000000000324 Rises=F Damp=F
 DIIS: error= 2.68D-08 at cycle  28 NSaved=   3.
 NSaved= 3 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 3 ErrMin= 2.68D-08
 ErrMax= 2.68D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 8.64D-13 BMatP= 9.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.508D-02-0.111D+00 0.111D+01
 Coeff:      0.508D-02-0.111D+00 0.111D+01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=5.91D-07 MaxDP=4.94D-05 DE=-3.24D-10 OVMax= 5.15D-07

 Cycle  29  Pass 1  IDiag  1:
 RMSU=  4.37D-07    CP:  1.00D+00  1.06D+00  1.23D+00
 E= -3471.77980420822     Delta-E=        0.000000000911 Rises=F Damp=F
 DIIS: error= 1.99D-08 at cycle  29 NSaved=   4.
 NSaved= 4 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 4 ErrMin= 1.99D-08
 ErrMax= 1.99D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 8.12D-13 BMatP= 8.64D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.523D-02-0.102D+00 0.581D+00 0.516D+00
 Coeff:      0.523D-02-0.102D+00 0.581D+00 0.516D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.89D-07 MaxDP=1.83D-05 DE= 9.11D-10 OVMax= 2.06D-07

 Cycle  30  Pass 1  IDiag  1:
 RMSU=  1.59D-07    CP:  1.00D+00  1.06D+00  1.26D+00  1.18D+00
 E= -3471.77980420831     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 2.27D-08 at cycle  30 NSaved=   5.
 NSaved= 5 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 4 ErrMin= 1.99D-08
 ErrMax= 2.27D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 9.86D-13 BMatP= 8.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.499D-02-0.876D-01 0.487D+00 0.459D+00 0.137D+00
 Coeff:      0.499D-02-0.876D-01 0.487D+00 0.459D+00 0.137D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=5.11D-08 MaxDP=4.66D-06 DE=-8.55D-11 OVMax= 5.08D-08

 Cycle  31  Pass 1  IDiag  1:
 RMSU=  2.40D-08    CP:  1.00D+00  1.06D+00  1.27D+00  1.22D+00  1.25D+00
 E= -3471.77980420816     Delta-E=        0.000000000144 Rises=F Damp=F
 DIIS: error= 4.95D-08 at cycle  31 NSaved=   6.
 NSaved= 6 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 4 ErrMin= 1.99D-08
 ErrMax= 4.95D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 2.49D-12 BMatP= 8.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.382D-02-0.691D-01 0.326D+00 0.489D+00 0.573D+00-0.323D+00
 Coeff:      0.382D-02-0.691D-01 0.326D+00 0.489D+00 0.573D+00-0.323D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=9.40D-08 MaxDP=8.77D-06 DE= 1.44D-10 OVMax= 5.87D-08

 Cycle  32  Pass 1  IDiag  1:
 RMSU=  8.66D-08    CP:  1.00D+00  1.06D+00  1.27D+00  1.28D+00  1.30D+00
                    CP:  5.43D-01
 E= -3471.77980420802     Delta-E=        0.000000000144 Rises=F Damp=F
 DIIS: error= 4.51D-08 at cycle  32 NSaved=   7.
 NSaved= 7 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 4 ErrMin= 1.99D-08
 ErrMax= 4.51D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.87D-12 BMatP= 8.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.333D-02-0.618D-01 0.242D+00 0.417D+00 0.694D+00-0.687D+00
 Coeff-Com:  0.393D+00
 Coeff:      0.333D-02-0.618D-01 0.242D+00 0.417D+00 0.694D+00-0.687D+00
 Coeff:      0.393D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=9.36D-08 MaxDP=1.12D-05 DE= 1.44D-10 OVMax= 7.54D-08

 Cycle  33  Pass 1  IDiag  1:
 RMSU=  6.75D-08    CP:  1.00D+00  1.06D+00  1.28D+00  1.29D+00  1.55D+00
                    CP: -2.58D-01  1.49D+00
 E= -3471.77980420878     Delta-E=       -0.000000000764 Rises=F Damp=F
 DIIS: error= 1.79D-08 at cycle  33 NSaved=   8.
 NSaved= 8 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 8 ErrMin= 1.79D-08
 ErrMax= 1.79D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 6.92D-13 BMatP= 8.12D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.326D-02-0.608D-01 0.246D+00 0.399D+00 0.597D+00-0.612D+00
 Coeff-Com:  0.338D+00 0.904D-01
 Coeff:      0.326D-02-0.608D-01 0.246D+00 0.399D+00 0.597D+00-0.612D+00
 Coeff:      0.338D+00 0.904D-01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.18D-08 MaxDP=2.44D-06 DE=-7.64D-10 OVMax= 1.15D-08

 Cycle  34  Pass 1  IDiag  1:
 RMSU=  1.80D-08    CP:  1.00D+00  1.06D+00  1.27D+00  1.29D+00  1.58D+00
                    CP: -5.95D-02  1.53D+00  1.13D+00
 E= -3471.77980420807     Delta-E=        0.000000000709 Rises=F Damp=F
 DIIS: error= 1.78D-08 at cycle  34 NSaved=   9.
 NSaved= 9 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 9 ErrMin= 1.78D-08
 ErrMax= 1.78D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 9.55D-13 BMatP= 6.92D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.340D-02-0.626D-01 0.251D+00 0.397D+00 0.584D+00-0.657D+00
 Coeff-Com:  0.409D+00 0.220D+00-0.144D+00
 Coeff:      0.340D-02-0.626D-01 0.251D+00 0.397D+00 0.584D+00-0.657D+00
 Coeff:      0.409D+00 0.220D+00-0.144D+00
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=2.00D-08 MaxDP=1.68D-06 DE= 7.09D-10 OVMax= 3.62D-09

 Cycle  35  Pass 1  IDiag  1:
 RMSU=  1.77D-08    CP:  1.00D+00  1.06D+00  1.28D+00  1.30D+00  1.56D+00
                    CP: -6.24D-02  1.58D+00  1.14D+00  6.58D-01
 E= -3471.77980420833     Delta-E=       -0.000000000258 Rises=F Damp=F
 DIIS: error= 3.46D-08 at cycle  35 NSaved=  10.
 NSaved=10 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 9 ErrMin= 1.78D-08
 ErrMax= 3.46D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.20D-12 BMatP= 6.92D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.344D-02-0.626D-01 0.252D+00 0.390D+00 0.557D+00-0.642D+00
 Coeff-Com:  0.384D+00 0.270D+00-0.239D+00 0.866D-01
 Coeff:      0.344D-02-0.626D-01 0.252D+00 0.390D+00 0.557D+00-0.642D+00
 Coeff:      0.384D+00 0.270D+00-0.239D+00 0.866D-01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.67D-08 MaxDP=1.54D-06 DE=-2.58D-10 OVMax= 5.02D-09

 Cycle  36  Pass 1  IDiag  1:
 RMSU=  1.48D-08    CP:  1.00D+00  1.06D+00  1.28D+00  1.30D+00  1.58D+00
                    CP: -7.97D-02  1.61D+00  1.21D+00  5.35D-01  1.07D+00
 E= -3471.77980420773     Delta-E=        0.000000000600 Rises=F Damp=F
 DIIS: error= 3.45D-08 at cycle  36 NSaved=  11.
 NSaved=11 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 9 ErrMin= 1.78D-08
 ErrMax= 3.45D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.19D-12 BMatP= 6.92D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.344D-02-0.620D-01 0.250D+00 0.389D+00 0.563D+00-0.620D+00
 Coeff-Com:  0.337D+00 0.212D+00-0.177D+00 0.187D-01 0.856D-01
 Coeff:      0.344D-02-0.620D-01 0.250D+00 0.389D+00 0.563D+00-0.620D+00
 Coeff:      0.337D+00 0.212D+00-0.177D+00 0.187D-01 0.856D-01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=1.70D-08 MaxDP=1.47D-06 DE= 6.00D-10 OVMax= 2.63D-09

 Cycle  37  Pass 1  IDiag  1:
 RMSU=  1.49D-08    CP:  1.00D+00  1.06D+00  1.27D+00  1.29D+00  1.59D+00
                    CP: -1.29D-01  1.59D+00  1.22D+00  6.23D-01  1.06D+00
                    CP:  1.34D+00
 E= -3471.77980420834     Delta-E=       -0.000000000604 Rises=F Damp=F
 DIIS: error= 3.89D-08 at cycle  37 NSaved=  12.
 NSaved=12 IEnMin= 1 EnMin= -3471.77980421540     IErMin= 9 ErrMin= 1.78D-08
 ErrMax= 3.89D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.67D-12 BMatP= 6.92D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.349D-02-0.620D-01 0.251D+00 0.388D+00 0.565D+00-0.619D+00
 Coeff-Com:  0.324D+00 0.213D+00-0.194D+00 0.342D-01 0.136D+00-0.408D-01
 Coeff:      0.349D-02-0.620D-01 0.251D+00 0.388D+00 0.565D+00-0.619D+00
 Coeff:      0.324D+00 0.213D+00-0.194D+00 0.342D-01 0.136D+00-0.408D-01
 Gap=     0.307 Goal=   None    Shift=    0.000
 Gap=     0.269 Goal=   None    Shift=    0.000
 RMSDP=6.94D-09 MaxDP=6.35D-07 DE=-6.04D-10 OVMax= 1.06D-09

 SCF Done:  E(UwB97XD) =  -3471.77980421     A.U. after   37 cycles
            NFock= 37  Conv=0.69D-08     -V/T= 2.0036
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7525 S= 0.5013
 <L.S>= 0.000000000000E+00
 KE= 3.459372105056D+03 PE=-1.807401484593D+04 EE= 6.215454544853D+03
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.7525,   after     0.7500
 Leave Link  502 at Fri Aug 27 21:25:34 2021, MaxMem=  7516192768 cpu:          146192.0 elap:           18409.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1  1089
 NBasis=  1093 NAE=   144 NBE=   143 NFC=     0 NFV=     0
 NROrb=   1089 NOA=   144 NOB=   143 NVA=   945 NVB=   946

 **** Warning!!: The largest alpha MO coefficient is  0.77810900D+02


 **** Warning!!: The largest beta MO coefficient is  0.77812197D+02

 Leave Link  801 at Fri Aug 27 21:25:35 2021, MaxMem=  7516192768 cpu:               1.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  UHF open shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        19888 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    7516192768 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=      72.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          63
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.52D-12 8.33D-09 XBig12= 1.00D+00 2.73D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.52D-12 8.33D-09 XBig12= 2.38D-01 2.42D-01.
     11 vectors produced by pass  2 Test12= 4.52D-12 8.33D-09 XBig12= 1.10D-01 1.30D-01.
     11 vectors produced by pass  3 Test12= 4.52D-12 8.33D-09 XBig12= 4.31D-02 8.18D-02.
     11 vectors produced by pass  4 Test12= 4.52D-12 8.33D-09 XBig12= 1.28D-02 2.49D-02.
     11 vectors produced by pass  5 Test12= 4.52D-12 8.33D-09 XBig12= 2.37D-03 1.17D-02.
     11 vectors produced by pass  6 Test12= 4.52D-12 8.33D-09 XBig12= 6.16D-04 7.63D-03.
     11 vectors produced by pass  7 Test12= 4.52D-12 8.33D-09 XBig12= 1.49D-04 5.85D-03.
     11 vectors produced by pass  8 Test12= 4.52D-12 8.33D-09 XBig12= 2.73D-05 1.64D-03.
     11 vectors produced by pass  9 Test12= 4.52D-12 8.33D-09 XBig12= 3.89D-06 3.51D-04.
     11 vectors produced by pass 10 Test12= 4.52D-12 8.33D-09 XBig12= 3.06D-07 1.76D-04.
     11 vectors produced by pass 11 Test12= 4.52D-12 8.33D-09 XBig12= 5.01D-08 5.08D-05.
     11 vectors produced by pass 12 Test12= 4.52D-12 8.33D-09 XBig12= 5.07D-09 8.51D-06.
     11 vectors produced by pass 13 Test12= 4.52D-12 8.33D-09 XBig12= 4.64D-10 2.54D-06.
     10 vectors produced by pass 14 Test12= 4.52D-12 8.33D-09 XBig12= 4.61D-11 1.41D-06.
      7 vectors produced by pass 15 Test12= 4.52D-12 8.33D-09 XBig12= 2.87D-12 3.27D-07.
      6 vectors produced by pass 16 Test12= 4.52D-12 8.33D-09 XBig12= 5.18D-13 5.10D-08.
      5 vectors produced by pass 17 Test12= 4.52D-12 8.33D-09 XBig12= 2.50D-13 2.20D-08.
      4 vectors produced by pass 18 Test12= 4.52D-12 8.33D-09 XBig12= 1.68D-13 1.87D-08.
      3 vectors produced by pass 19 Test12= 4.52D-12 8.33D-09 XBig12= 1.03D-13 1.57D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.27D-13
 Solved reduced A of dimension   189 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.439428D+03
      2  0.342641D+02  0.339990D+03
      3  0.329874D-02 -0.216315D-02  0.253175D+03
 Isotropic polarizability for W=    0.085645      344.20 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.246932D+00  0.225751D-01 -0.360115D+01
      2  -0.167454D+00  0.216617D-01 -0.109345D+03
      3  -0.794785D-01 -0.442368D-01  0.112946D+03
      4  -0.232239D-01 -0.547829D-01  0.866431D+02
      5   0.138916D+03  0.887383D+02  0.664689D-01
      6   0.292685D+02  0.482937D+02 -0.108399D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.387605D+01  0.215360D+02  0.378943D-01
      2   0.745583D+02  0.514513D+02  0.434716D-01
      3   0.642605D+00 -0.990092D-02 -0.465935D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.209522D+01  0.157639D+03  0.641623D-01
      2  -0.142517D+03  0.573746D+02  0.145947D+00
      3  -0.457990D-01 -0.112671D+00 -0.594698D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.295271D+01 -0.221334D+02 -0.167829D+00
      2  -0.221334D+02 -0.108911D+02 -0.423309D-02
      3  -0.167829D+00 -0.423309D-02  0.892017D+01
 OR G Eigenvalues:   -27.1600     8.9188    19.2230  Iso=    -0.3273
 Eigenvectors:
   (1)   0.592254   0.805746   0.002849
   (2)   0.008692  -0.009925   0.999913
   (3)   0.805705  -0.592178  -0.012881
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3273 au.
 Molar Mass =    558.0192 grams/mole, [Alpha] ( 5320.0 A) =      -27.81 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 1 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  597871 ScalPx= 6.14D+02
 PxSclF for G(T1ab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  597871 IRwP= 19994 19993 IPTmp= 19962 19961 ScalPx= 6.85D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.54D-13 2.78D-09 XBig12= 1.00D+00 7.79D-01.
     30 vectors produced by pass  1 Test12= 7.54D-13 2.78D-09 XBig12= 1.00D+00 5.53D-01.
     30 vectors produced by pass  2 Test12= 7.54D-13 2.78D-09 XBig12= 5.36D-02 6.22D-02.
     30 vectors produced by pass  3 Test12= 7.54D-13 2.78D-09 XBig12= 5.22D-03 1.40D-02.
     30 vectors produced by pass  4 Test12= 7.54D-13 2.78D-09 XBig12= 4.54D-04 4.58D-03.
     30 vectors produced by pass  5 Test12= 7.54D-13 2.78D-09 XBig12= 2.60D-05 8.93D-04.
     30 vectors produced by pass  6 Test12= 7.54D-13 2.78D-09 XBig12= 1.04D-06 1.35D-04.
     30 vectors produced by pass  7 Test12= 7.54D-13 2.78D-09 XBig12= 4.11D-08 3.04D-05.
     30 vectors produced by pass  8 Test12= 7.54D-13 2.78D-09 XBig12= 1.78D-09 4.24D-06.
     30 vectors produced by pass  9 Test12= 7.54D-13 2.78D-09 XBig12= 6.30D-11 7.55D-07.
     30 vectors produced by pass 10 Test12= 7.54D-13 2.78D-09 XBig12= 1.46D-12 1.11D-07.
     16 vectors produced by pass 11 Test12= 7.54D-13 2.78D-09 XBig12= 1.02D-13 1.61D-08.
      4 vectors produced by pass 12 Test12= 7.54D-13 2.78D-09 XBig12= 1.72D-13 1.20D-08.
      3 vectors produced by pass 13 Test12= 7.54D-13 2.78D-09 XBig12= 1.37D-13 1.40D-08.
      2 vectors produced by pass 14 Test12= 7.54D-13 2.78D-09 XBig12= 1.99D-14 4.61D-09.
      2 vectors produced by pass 15 Test12= 7.54D-13 2.78D-09 XBig12= 2.73D-14 5.13D-09.
      2 vectors produced by pass 16 Test12= 7.54D-13 2.78D-09 XBig12= 2.98D-14 5.60D-09.
      1 vectors produced by pass 17 Test12= 7.54D-13 2.78D-09 XBig12= 3.36D-14 7.13D-09.
      1 vectors produced by pass 18 Test12= 7.54D-13 2.78D-09 XBig12= 3.65D-14 5.46D-09.
      1 vectors produced by pass 19 Test12= 7.54D-13 2.78D-09 XBig12= 3.14D-14 5.88D-09.
      1 vectors produced by pass 20 Test12= 7.54D-13 2.78D-09 XBig12= 3.43D-14 6.67D-09.
      1 vectors produced by pass 21 Test12= 7.54D-13 2.78D-09 XBig12= 2.26D-14 3.49D-09.
      1 vectors produced by pass 22 Test12= 7.54D-13 2.78D-09 XBig12= 2.57D-14 4.66D-09.
      1 vectors produced by pass 23 Test12= 7.54D-13 2.78D-09 XBig12= 2.10D-14 3.25D-09.
      1 vectors produced by pass 24 Test12= 7.54D-13 2.78D-09 XBig12= 2.37D-14 3.99D-09.
      1 vectors produced by pass 25 Test12= 7.54D-13 2.78D-09 XBig12= 2.44D-14 4.07D-09.
      1 vectors produced by pass 26 Test12= 7.54D-13 2.78D-09 XBig12= 2.20D-14 3.22D-09.
      1 vectors produced by pass 27 Test12= 7.54D-13 2.78D-09 XBig12= 2.77D-14 3.74D-09.
      1 vectors produced by pass 28 Test12= 7.54D-13 2.78D-09 XBig12= 1.76D-14 3.44D-09.
      1 vectors produced by pass 29 Test12= 7.54D-13 2.78D-09 XBig12= 2.23D-14 4.54D-09.
      1 vectors produced by pass 30 Test12= 7.54D-13 2.78D-09 XBig12= 2.02D-14 2.79D-09.
      1 vectors produced by pass 31 Test12= 7.54D-13 2.78D-09 XBig12= 2.52D-14 4.40D-09.
      1 vectors produced by pass 32 Test12= 7.54D-13 2.78D-09 XBig12= 1.90D-14 2.86D-09.
      1 vectors produced by pass 33 Test12= 7.54D-13 2.78D-09 XBig12= 2.14D-14 3.26D-09.
      1 vectors produced by pass 34 Test12= 7.54D-13 2.78D-09 XBig12= 1.81D-14 3.06D-09.
      1 vectors produced by pass 35 Test12= 7.54D-13 2.78D-09 XBig12= 2.12D-14 4.18D-09.
      1 vectors produced by pass 36 Test12= 7.54D-13 2.78D-09 XBig12= 2.05D-14 3.40D-09.
      1 vectors produced by pass 37 Test12= 7.54D-13 2.78D-09 XBig12= 1.87D-14 3.45D-09.
      1 vectors produced by pass 38 Test12= 7.54D-13 2.78D-09 XBig12= 2.10D-14 3.59D-09.
      1 vectors produced by pass 39 Test12= 7.54D-13 2.78D-09 XBig12= 1.58D-14 3.84D-09.
      1 vectors produced by pass 40 Test12= 7.54D-13 2.78D-09 XBig12= 2.08D-14 3.20D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   383 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  597871 ScalPx= 1.04D+04
 PxScal for FxTab-XC:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  597871 ScalPx= 1.04D+04
 PxSclF for G(Xab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  597871 IRwP= 19964 19963 IPTmp= 19956 19955 ScalPx= 7.41D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.439428D+03  0.342641D+02  0.329874D-02
      2   0.342641D+02  0.339990D+03 -0.216315D-02
      3   0.329874D-02 -0.216315D-02  0.253175D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.387605D+01  0.215360D+02  0.378943D-01
      2   0.745583D+02  0.514513D+02  0.434716D-01
      3   0.642605D+00 -0.990092D-02 -0.465935D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.246932D+00  0.225751D-01 -0.360115D+01
      2  -0.167454D+00  0.216617D-01 -0.109345D+03
      3  -0.794785D-01 -0.442368D-01  0.112946D+03
      4  -0.232239D-01 -0.547829D-01  0.866431D+02
      5   0.138916D+03  0.887383D+02  0.664689D-01
      6   0.292685D+02  0.482937D+02 -0.108399D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.860434D+01 -0.934240D+00  0.177159D+01  0.178002D+00  0.215736D+01
      2  -0.934240D+00  0.616916D+00  0.471834D+00  0.215736D+01 -0.986070D+00
      3   0.177159D+01  0.471834D+00  0.185417D+01 -0.233205D+00  0.278077D+00
                 6             7             8             9            10 
      1  -0.233205D+00 -0.243306D+01 -0.891461D+00  0.231483D+01 -0.379197D+01
      2   0.278077D+00 -0.891461D+00 -0.112828D+01  0.331423D+01  0.359646D-01
      3   0.338009D+01  0.231483D+01  0.331423D+01  0.104054D+00 -0.220553D+00
                11            12            13            14            15 
      1   0.359646D-01 -0.220553D+00  0.134459D+01 -0.433796D+01  0.124509D+01
      2  -0.340884D+01  0.957856D+00 -0.433796D+01 -0.578420D+00 -0.203519D+01
      3   0.957856D+00 -0.200188D+01  0.124509D+01 -0.203519D+01 -0.443504D+01
                16            17            18            19            20 
      1   0.128112D+01  0.128833D+01 -0.436855D+01  0.262016D+02  0.686847D+01
      2   0.128833D+01  0.712730D-01 -0.298648D+01  0.686847D+01  0.108689D+02
      3  -0.436855D+01 -0.298648D+01  0.429234D+00  0.235833D+00  0.103477D+01
                21            22            23            24            25 
      1   0.235833D+00  0.963832D+01  0.642306D+01 -0.175891D+00 -0.234035D+01
      2   0.103477D+01  0.642306D+01  0.130790D+02  0.188463D+01  0.173297D+00
      3   0.137084D+01 -0.175891D+00  0.188463D+01  0.146448D+01  0.384859D+01
                26            27            28            29            30 
      1   0.173297D+00  0.384859D+01 -0.346794D+02  0.629651D+00 -0.557521D+00
      2   0.164017D+01  0.188007D+01  0.629651D+00  0.779612D+01  0.378500D+00
      3   0.188007D+01  0.817362D+00 -0.557521D+00  0.378500D+00 -0.219992D+00
                31            32            33            34            35 
      1   0.961679D+01  0.239992D+01 -0.720974D+00  0.344746D+01 -0.126296D+01
      2   0.239992D+01  0.463165D+01  0.158516D+00 -0.126296D+01  0.918608D+00
      3  -0.720974D+00  0.158516D+00  0.194119D+00  0.199207D+01  0.265769D+01
                36            37            38            39            40 
      1   0.199207D+01  0.100876D+02  0.307959D+01 -0.470937D+00  0.152737D+02
      2   0.265769D+01  0.307959D+01  0.411854D+00  0.211201D+01  0.378285D+01
      3   0.896404D+00 -0.470937D+00  0.211201D+01 -0.335037D+01  0.262018D+01
                41            42            43            44            45 
      1   0.378285D+01  0.262018D+01  0.158263D+01  0.598728D+01 -0.509914D+01
      2  -0.104988D+01 -0.183044D+01  0.598728D+01 -0.272817D+00 -0.144772D+01
      3  -0.183044D+01  0.175004D+01 -0.509914D+01 -0.144772D+01  0.261165D+01
                46            47            48            49            50 
      1  -0.179127D+01 -0.407786D+01  0.151606D+01 -0.679978D+01 -0.591842D+01
      2  -0.407786D+01 -0.377351D+01 -0.326141D+00 -0.591842D+01  0.141595D+00
      3   0.151606D+01 -0.326141D+00  0.311157D+01  0.645059D+00  0.224947D+01
                51            52            53            54            55 
      1   0.645059D+00 -0.396987D+01 -0.341508D+01  0.457142D+01 -0.232295D+01
      2   0.224947D+01 -0.341508D+01 -0.371649D+00 -0.153506D+00 -0.538217D+01
      3  -0.815411D+00  0.457142D+01 -0.153506D+00 -0.210110D+01  0.153596D+01
                56            57            58            59            60 
      1  -0.538217D+01  0.153596D+01 -0.102812D+02  0.383713D+00 -0.200315D+01
      2  -0.300393D+00 -0.171952D+01  0.383713D+00  0.155271D+01  0.312238D+01
      3  -0.171952D+01  0.413050D+01 -0.200315D+01  0.312238D+01  0.285373D+01
                61            62            63            64            65 
      1   0.480910D+01 -0.105806D+01  0.485836D+01  0.619692D+02  0.504290D+01
      2  -0.105806D+01  0.331397D+01  0.260096D+01  0.504290D+01 -0.804362D+01
      3   0.485836D+01  0.260096D+01 -0.160049D+01  0.116360D+01 -0.123681D+01
                66            67            68            69            70 
      1   0.116360D+01  0.170380D+02  0.314211D+01  0.108197D+01  0.127950D+01
      2  -0.123681D+01  0.314211D+01  0.570297D+01  0.545975D+00 -0.838513D+00
      3  -0.300576D+00  0.108197D+01  0.545975D+00  0.821250D+00 -0.615636D+00
                71            72            73            74            75 
      1  -0.838513D+00 -0.615636D+00  0.364640D-01  0.716800D-02 -0.155375D+00
      2  -0.312018D+00  0.112438D+01  0.716800D-02 -0.426553D-03 -0.491433D+00
      3   0.112438D+01  0.287314D+00 -0.155375D+00 -0.491433D+00  0.155752D-04
                76            77            78            79            80 
      1  -0.121295D+00  0.889001D-02 -0.364027D+01  0.259658D+02  0.228846D+01
      2   0.889001D-02  0.328143D-02  0.214685D+00  0.228846D+01  0.801895D-01
      3  -0.364027D+01  0.214685D+00  0.130696D-02 -0.112762D-02  0.165118D-02
                81            82            83            84            85 
      1  -0.112762D-02  0.478275D+02 -0.859410D+01 -0.211625D+01 -0.310422D+02
      2   0.165118D-02 -0.859410D+01 -0.479360D+01 -0.984766D+00  0.317894D+01
      3  -0.255678D+00 -0.211625D+01 -0.984766D+00 -0.333857D+00  0.146725D+01
                86            87            88            89            90 
      1   0.317894D+01  0.146725D+01 -0.150682D+02  0.233308D+00 -0.136043D+01
      2  -0.202193D+01 -0.494814D-01  0.233308D+00  0.471302D+00 -0.105337D+01
      3  -0.494814D-01 -0.135073D+00 -0.136043D+01 -0.105337D+01 -0.226605D+00
                91            92            93            94            95 
      1  -0.363115D+02  0.255780D+01  0.104539D+01 -0.153036D+02 -0.173274D+02
      2   0.255780D+01 -0.278548D+01 -0.954375D-01 -0.173274D+02 -0.246774D+02
      3   0.104539D+01 -0.954375D-01 -0.979538D+00 -0.218369D+01 -0.302727D+01
                96            97            98            99           100 
      1  -0.218369D+01 -0.619837D+01 -0.273051D+01 -0.180871D+01  0.251647D+01
      2  -0.302727D+01 -0.273051D+01 -0.318729D+01 -0.474767D+01 -0.490242D+01
      3  -0.248070D+01 -0.180871D+01 -0.474767D+01 -0.181138D+01 -0.291772D+00
               101           102           103           104           105 
      1  -0.490242D+01 -0.291772D+00 -0.351198D+01  0.111981D+02  0.191046D+01
      2  -0.391894D+01 -0.285613D+00  0.111981D+02  0.455922D+01  0.668066D+00
      3  -0.285613D+00 -0.134576D+01  0.191046D+01  0.668066D+00 -0.544984D+00
               106           107           108           109           110 
      1   0.540114D+01  0.169061D+01 -0.104396D+01  0.347723D+01  0.857113D+00
      2   0.169061D+01 -0.104695D+01  0.111450D+01  0.857113D+00  0.413011D+01
      3  -0.104396D+01  0.111450D+01 -0.389229D+00  0.173221D+01 -0.309626D-01
               111           112           113           114           115 
      1   0.173221D+01 -0.226139D+01 -0.518589D+00 -0.670178D+00  0.180962D+01
      2  -0.309626D-01 -0.518589D+00 -0.475959D+01  0.117222D+01  0.477959D+00
      3   0.989032D+00 -0.670178D+00  0.117222D+01 -0.580837D+00  0.179429D+01
               116           117           118           119           120 
      1   0.477959D+00  0.179429D+01 -0.278265D+01 -0.488556D+01  0.400379D+00
      2   0.435093D+01 -0.153649D+01 -0.488556D+01 -0.159191D+01 -0.156596D+01
      3  -0.153649D+01  0.373545D+01  0.400379D+00 -0.156596D+01  0.309833D+01
               121           122           123           124           125 
      1  -0.402872D+01 -0.159863D+01 -0.154882D+01  0.723214D+00 -0.175698D+01
      2  -0.159863D+01  0.441765D+00  0.189069D+01 -0.175698D+01  0.204513D+01
      3  -0.154882D+01  0.189069D+01 -0.300964D+00  0.284888D+01 -0.618769D+00
               126           127           128           129           130 
      1   0.284888D+01  0.222622D+01  0.475846D+01 -0.631133D+00  0.813515D+01
      2  -0.618769D+00  0.475846D+01 -0.107946D+00  0.169515D+01 -0.165575D+01
      3  -0.346244D+01 -0.631133D+00  0.169515D+01 -0.243791D+01  0.188446D+01
               131           132           133           134           135 
      1  -0.165575D+01  0.188446D+01 -0.173255D+01  0.869890D+00 -0.354890D+01
      2  -0.196484D+01 -0.292614D+01  0.869890D+00 -0.304076D+01 -0.292443D+01
      3  -0.292614D+01 -0.252256D+01 -0.354890D+01 -0.292443D+01  0.131726D+01
               136           137           138           139           140 
      1   0.301704D+01  0.402810D+01 -0.119907D+01  0.464958D+01 -0.155530D+01
      2   0.402810D+01 -0.451799D+00  0.180263D+01 -0.155530D+01 -0.122800D+01
      3  -0.119907D+01  0.180263D+01 -0.247517D+01  0.156833D+01 -0.393742D+01
               141           142           143           144           145 
      1   0.156833D+01 -0.140033D+01  0.105231D+01 -0.263984D+01 -0.620216D+02
      2  -0.393742D+01  0.105231D+01 -0.289879D+01 -0.223821D+01 -0.505241D+01
      3  -0.218118D+01 -0.263984D+01 -0.223821D+01  0.139358D+01  0.118876D+01
               146           147           148           149           150 
      1  -0.505241D+01  0.118876D+01 -0.168850D+02 -0.313700D+01  0.108965D+01
      2   0.804124D+01 -0.124032D+01 -0.313700D+01 -0.569493D+01  0.549300D+00
      3  -0.124032D+01  0.301813D+00  0.108965D+01  0.549300D+00 -0.821246D+00
               151           152           153           154           155 
      1   0.130145D+01 -0.835550D+00  0.615423D+00  0.346339D+02 -0.613139D+00
      2  -0.835550D+00 -0.302408D+00 -0.112369D+01 -0.613139D+00 -0.778795D+01
      3   0.615423D+00 -0.112369D+01  0.291297D+00 -0.570037D+00  0.377138D+00
               156           157           158           159           160 
      1  -0.570037D+00 -0.964151D+01 -0.240852D+01 -0.722399D+00  0.350368D+01
      2   0.377138D+00 -0.240852D+01 -0.464771D+01  0.155626D+00 -0.128122D+01
      3   0.222657D+00 -0.722399D+00  0.155626D+00 -0.196322D+00 -0.198321D+01
               161           162           163           164           165 
      1  -0.128122D+01 -0.198321D+01 -0.100885D+02 -0.308604D+01 -0.472706D+00
      2   0.911160D+00 -0.265409D+01 -0.308604D+01 -0.413798D+00  0.211035D+01
      3  -0.265409D+01  0.894722D+00 -0.472706D+00  0.211035D+01  0.334025D+01
               166           167           168           169           170 
      1  -0.152734D+02 -0.378110D+01  0.261890D+01  0.154412D+01  0.600068D+01
      2  -0.378110D+01  0.105089D+01 -0.182851D+01  0.600068D+01 -0.265630D+00
      3   0.261890D+01 -0.182851D+01 -0.173914D+01  0.508964D+01  0.145822D+01
               171           172           173           174           175 
      1   0.508964D+01  0.231341D+01  0.538971D+01  0.154684D+01  0.102873D+02
      2   0.145822D+01  0.538971D+01  0.307612D+00 -0.171157D+01 -0.382663D+00
      3   0.262902D+01  0.154684D+01 -0.171157D+01 -0.411915D+01 -0.198837D+01
               176           177           178           179           180 
      1  -0.382663D+00 -0.198837D+01  0.482476D+01 -0.104806D+01 -0.484841D+01
      2  -0.155104D+01  0.311746D+01 -0.104806D+01  0.331190D+01 -0.261203D+01
      3   0.311746D+01 -0.286972D+01 -0.484841D+01 -0.261203D+01 -0.161382D+01
               181           182           183           184           185 
      1   0.379298D+01 -0.470563D-01 -0.228245D+00 -0.136608D+01  0.433670D+01
      2  -0.470563D-01  0.339739D+01  0.954435D+00  0.433670D+01  0.574119D+00
      3  -0.228245D+00  0.954435D+00  0.199699D+01  0.123872D+01 -0.202660D+01
               186           187           188           189           190 
      1   0.123872D+01  0.127229D+01  0.128616D+01  0.436439D+01 -0.261874D+02
      2  -0.202660D+01  0.128616D+01  0.849382D-01  0.299001D+01 -0.685437D+01
      3   0.443994D+01  0.436439D+01  0.299001D+01  0.440986D+00  0.233073D+00
               191           192           193           194           195 
      1  -0.685437D+01  0.233073D+00 -0.965375D+01 -0.640725D+01 -0.179875D+00
      2  -0.108653D+02  0.102950D+01 -0.640725D+01 -0.130749D+02  0.188167D+01
      3   0.102950D+01 -0.136721D+01 -0.179875D+00  0.188167D+01 -0.146223D+01
               196           197           198           199           200 
      1  -0.233536D+01  0.146485D+00 -0.383453D+01  0.859716D+01  0.936105D+00
      2   0.146485D+00  0.161054D+01 -0.186878D+01  0.936105D+00 -0.619072D+00
      3  -0.383453D+01 -0.186878D+01  0.808571D+00  0.180235D+01  0.490885D+00
               201           202           203           204           205 
      1   0.180235D+01 -0.179639D+00 -0.216488D+01 -0.206568D+00 -0.239961D+01
      2   0.490885D+00 -0.216488D+01  0.975362D+00  0.289070D+00 -0.873003D+00
      3  -0.187633D+01 -0.206568D+00  0.289070D+00 -0.341532D+01 -0.233567D+01
               206           207           208           209           210 
      1  -0.873003D+00 -0.233567D+01  0.181526D+01  0.408528D+01  0.149946D+01
      2  -0.112105D+01 -0.333759D+01  0.408528D+01  0.378074D+01 -0.325667D+00
      3  -0.333759D+01  0.148694D+00  0.149946D+01 -0.325667D+00 -0.308377D+01
               211           212           213           214           215 
      1   0.678264D+01  0.592853D+01  0.654740D+00 -0.398565D+01 -0.341408D+01
      2   0.592853D+01 -0.133511D+00  0.225720D+01 -0.341408D+01 -0.367642D+00
      3   0.654740D+00  0.225720D+01  0.800985D+00 -0.454233D+01  0.146413D+00
               216           217           218           219           220 
      1  -0.454233D+01 -0.301437D+01 -0.402576D+01 -0.121088D+01 -0.464569D+01
      2   0.146413D+00 -0.402576D+01  0.467222D+00  0.178737D+01  0.157270D+01
      3  -0.213609D+01 -0.121088D+01  0.178737D+01  0.246695D+01  0.155212D+01
               221           222           223           224           225 
      1   0.157270D+01  0.155212D+01 -0.141874D+01  0.103109D+01  0.263742D+01
      2   0.121752D+01 -0.393880D+01  0.103109D+01 -0.290434D+01  0.225513D+01
      3  -0.393880D+01  0.219711D+01  0.263742D+01  0.225513D+01  0.139391D+01
               226           227           228           229           230 
      1  -0.219431D+01 -0.476790D+01 -0.652278D+00 -0.815407D+01  0.164828D+01
      2  -0.476790D+01  0.102691D+00  0.169386D+01  0.164828D+01  0.195990D+01
      3  -0.652278D+00  0.169386D+01  0.242689D+01  0.188580D+01 -0.291032D+01
               231           232           233           234           235 
      1   0.188580D+01 -0.175148D+01  0.866684D+00  0.354000D+01  0.276852D+01
      2  -0.291032D+01  0.866684D+00 -0.303107D+01  0.292227D+01  0.488808D+01
      3   0.251333D+01  0.354000D+01  0.292227D+01  0.133937D+01  0.410414D+00
               236           237           238           239           240 
      1   0.488808D+01  0.410414D+00  0.403512D+01  0.160165D+01 -0.154794D+01
      2   0.159895D+01 -0.156265D+01  0.160165D+01 -0.436560D+00  0.188946D+01
      3  -0.156265D+01 -0.308891D+01 -0.154794D+01  0.188946D+01  0.288895D+00
               241           242           243           244           245 
      1   0.738661D+00 -0.175489D+01 -0.284217D+01  0.363656D+02 -0.257596D+01
      2  -0.175489D+01  0.204224D+01  0.609757D+00 -0.257596D+01  0.276528D+01
      3  -0.284217D+01  0.609757D+00 -0.347727D+01  0.103641D+01 -0.970777D-01
               246           247           248           249           250 
      1   0.103641D+01  0.152567D+02  0.173102D+02 -0.218184D+01 -0.616713D+01
      2  -0.970777D-01  0.173102D+02  0.246845D+02 -0.302717D+01 -0.272795D+01
      3   0.978520D+00 -0.218184D+01 -0.302717D+01  0.248082D+01  0.180566D+01
               251           252           253           254           255 
      1  -0.272795D+01  0.180566D+01 -0.251235D+01  0.490335D+01 -0.291445D+00
      2  -0.318477D+01  0.474850D+01  0.490335D+01  0.392663D+01 -0.285897D+00
      3   0.474850D+01 -0.180993D+01 -0.291445D+00 -0.285897D+00  0.134666D+01
               256           257           258           259           260 
      1   0.353548D+01 -0.111957D+02  0.191006D+01  0.538262D+01  0.169117D+01
      2  -0.111957D+02 -0.457050D+01  0.668306D+00  0.169117D+01 -0.104859D+01
      3   0.191006D+01  0.668306D+00  0.545854D+00  0.104415D+01 -0.111511D+01
               261           262           263           264           265 
      1   0.104415D+01 -0.347748D+01 -0.859495D+00  0.173273D+01  0.225257D+01
      2  -0.111511D+01 -0.859495D+00 -0.415761D+01 -0.314582D-01  0.504326D+00
      3  -0.385426D+00  0.173273D+01 -0.314582D-01 -0.989740D+00 -0.670740D+00
               266           267           268           269           270 
      1   0.504326D+00 -0.670740D+00  0.180849D+01  0.473472D+00 -0.179562D+01
      2   0.471605D+01  0.117187D+01  0.473472D+00  0.434229D+01  0.153650D+01
      3   0.117187D+01  0.581435D+00 -0.179562D+01  0.153650D+01  0.373394D+01
               271           272           273           274           275 
      1  -0.478134D+02  0.859942D+01 -0.209626D+01  0.311157D+02 -0.318885D+01
      2   0.859942D+01  0.480738D+01 -0.982934D+00 -0.318885D+01  0.202532D+01
      3  -0.209626D+01 -0.982934D+00  0.333959D+00  0.145581D+01 -0.488162D-01
               276           277           278           279           280 
      1   0.145581D+01 -0.150639D+02  0.238504D+00  0.136383D+01 -0.300988D+01
      2  -0.488162D-01  0.238504D+00  0.473690D+00  0.105412D+01 -0.109484D+01
      3   0.134955D+00  0.136383D+01  0.105412D+01 -0.225818D+00 -0.167088D+01
               281           282           283           284           285 
      1  -0.109484D+01 -0.167088D+01 -0.325326D+00 -0.335594D+00  0.118539D+00
      2  -0.451696D+01  0.108814D+01 -0.335594D+00  0.185085D+01 -0.127988D+01
      3   0.108814D+01 -0.150727D+01  0.118539D+00 -0.127988D+01  0.137643D+00
               286           287           288           289           290 
      1  -0.193524D+01 -0.345502D+00 -0.198384D+01  0.194356D+01  0.212351D+01
      2  -0.345502D+00 -0.264452D+01  0.138646D+01  0.212351D+01  0.196566D+01
      3  -0.198384D+01  0.138646D+01 -0.359240D+01 -0.556018D+00 -0.395218D+00
               291           292           293           294           295 
      1  -0.556018D+00  0.153644D-01  0.257390D+01 -0.324226D+00 -0.274764D+00
      2  -0.395218D+00  0.257390D+01  0.623279D+01 -0.104434D+01 -0.387347D+00
      3   0.673077D+00 -0.324226D+00 -0.104434D+01  0.616537D+00  0.768585D+00
               296           297           298           299           300 
      1  -0.387347D+00  0.768585D+00 -0.195224D+01 -0.212424D+01 -0.556681D+00
      2  -0.706857D+00  0.150866D+01 -0.212424D+01 -0.196644D+01 -0.396042D+00
      3   0.150866D+01 -0.906083D+00 -0.556681D+00 -0.396042D+00 -0.673374D+00
               301           302           303           304           305 
      1  -0.230872D-01 -0.257418D+01 -0.324459D+00 -0.277192D+00 -0.387588D+00
      2  -0.257418D+01 -0.622919D+01 -0.104462D+01 -0.387588D+00 -0.707817D+00
      3  -0.324459D+00 -0.104462D+01 -0.616909D+00 -0.769218D+00 -0.150844D+01
               306           307           308           309           310 
      1  -0.769218D+00  0.301099D+01  0.109449D+01 -0.167085D+01  0.322631D+00
      2  -0.150844D+01  0.109449D+01  0.451625D+01  0.108805D+01  0.336574D+00
      3  -0.906329D+00 -0.167085D+01  0.108805D+01  0.150732D+01  0.118909D+00
               311           312           313           314           315 
      1   0.336574D+00  0.118909D+00 -0.193496D+01 -0.344801D+00  0.198345D+01
      2  -0.185229D+01 -0.128048D+01 -0.344801D+00 -0.264217D+01 -0.138668D+01
      3  -0.128048D+01 -0.139024D+00  0.198345D+01 -0.138668D+01 -0.359016D+01
               316           317           318           319           320 
      1  -0.513208D+01 -0.352108D+01 -0.149288D+01 -0.480267D+01 -0.481105D+01
      2  -0.352108D+01 -0.426948D+01 -0.934961D+00 -0.481105D+01 -0.627184D+01
      3  -0.149288D+01 -0.934961D+00 -0.103264D+01 -0.150469D+01 -0.201865D+01
               321           322           323           324           325 
      1  -0.150469D+01  0.836822D+00  0.420967D+00 -0.474289D+00  0.200174D+01
      2  -0.201865D+01  0.420967D+00 -0.883244D+00 -0.101580D+01 -0.121735D+01
      3  -0.164288D+01 -0.474289D+00 -0.101580D+01 -0.671478D+00 -0.174284D+01
               326           327           328           329           330 
      1  -0.121735D+01 -0.174284D+01 -0.636486D+00 -0.132828D-01  0.274279D+00
      2   0.101983D+01  0.135547D+01 -0.132828D-01 -0.137536D+01 -0.136422D+01
      3   0.135547D+01  0.355830D+01  0.274279D+00 -0.136422D+01 -0.107929D+01
               331           332           333           334           335 
      1  -0.795776D+00  0.498241D+00  0.148642D+01 -0.135504D+02 -0.618784D+00
      2   0.498241D+00 -0.141528D+01 -0.178051D+01 -0.618784D+00 -0.112531D+01
      3   0.148642D+01 -0.178051D+01 -0.469209D+01 -0.339404D+01  0.177681D+00
               336           337           338           339           340 
      1  -0.339404D+01 -0.701864D+00 -0.129083D+01  0.322182D+00 -0.174768D+01
      2   0.177681D+00 -0.129083D+01  0.593085D-01 -0.153477D+00  0.217604D+00
      3  -0.274479D+01  0.322182D+00 -0.153477D+00 -0.468911D+00 -0.222527D+01
               341           342           343           344           345 
      1   0.217604D+00 -0.222527D+01 -0.383335D+00  0.378224D+00 -0.894260D+00
      2   0.504728D+00 -0.401391D+00  0.378224D+00  0.654578D+00 -0.622873D+00
      3  -0.401391D+00 -0.236297D+00 -0.894260D+00 -0.622873D+00  0.191269D+01
               346           347           348           349           350 
      1   0.572271D+00  0.607704D-01  0.314858D+00 -0.803080D+00  0.328746D+00
      2   0.607704D-01  0.160598D+01 -0.180258D+01  0.328746D+00 -0.158951D+01
      3   0.314858D+00 -0.180258D+01  0.307763D+01 -0.308822D+00  0.226170D+01
               351           352           353           354           355 
      1  -0.308822D+00 -0.414916D+01  0.293666D+01  0.403284D+00  0.386048D+01
      2   0.226170D+01  0.293666D+01 -0.192542D+01 -0.379298D+00 -0.277771D+01
      3  -0.607757D+01  0.403284D+00 -0.379298D+00 -0.921279D+00 -0.397733D+00
               356           357           358           359           360 
      1  -0.277771D+01 -0.397733D+00  0.764745D+00 -0.881659D+00 -0.139599D+01
      2   0.480169D+01  0.491741D+00 -0.881659D+00  0.532840D+00  0.710628D+00
      3   0.491741D+00  0.510444D+00 -0.139599D+01  0.710628D+00  0.491088D+00
               361           362           363           364           365 
      1   0.584735D+01  0.223465D+01  0.250839D+00  0.200042D+01  0.965773D+00
      2   0.223465D+01  0.132874D+01 -0.267508D+00  0.965773D+00  0.732121D+00
      3   0.250839D+00 -0.267508D+00  0.238252D+01 -0.118748D+00  0.652255D+00
               366           367           368           369           370 
      1  -0.118748D+00 -0.286561D+00 -0.231174D+00  0.105011D+01 -0.255187D+00
      2   0.652255D+00 -0.231174D+00  0.519799D+00  0.386445D+00 -0.249815D+00
      3   0.854044D+00  0.105011D+01  0.386445D+00  0.101575D+00  0.900311D+00
               371           372           373           374           375 
      1  -0.249815D+00  0.900311D+00 -0.841467D+00 -0.802160D+00  0.748333D+00
      2  -0.829850D-01 -0.130099D+00 -0.802160D+00 -0.344452D+01  0.289539D+01
      3  -0.130099D+00 -0.407789D+00  0.748333D+00  0.289539D+01 -0.456650D+01
               376           377           378           379           380 
      1   0.111343D+01  0.421997D+00 -0.107566D+01 -0.339573D+01  0.189596D+01
      2   0.421997D+00  0.205034D+01 -0.256601D+01  0.189596D+01 -0.164127D+01
      3  -0.107566D+01 -0.256601D+01  0.493485D+01  0.240690D+01 -0.136036D+01
               381           382           383           384           385 
      1   0.240690D+01  0.270441D+01 -0.197303D+01 -0.199859D+01  0.152900D+01
      2  -0.136036D+01 -0.197303D+01  0.254305D+01  0.234395D+01 -0.948458D+00
      3  -0.298170D+01 -0.199859D+01  0.234395D+01  0.274735D+01 -0.207295D+01
               386           387           388           389           390 
      1  -0.948458D+00 -0.207295D+01 -0.293621D+01 -0.486800D+00 -0.140198D+01
      2   0.143496D+01  0.120344D+01 -0.486800D+00 -0.766338D+00 -0.107041D+01
      3   0.120344D+01  0.298346D+01 -0.140198D+01 -0.107041D+01 -0.150265D+01
               391           392           393           394           395 
      1  -0.642736D+00 -0.114740D+01 -0.115576D+01 -0.362689D+01 -0.168320D+01
      2  -0.114740D+01 -0.119194D+01 -0.804273D+00 -0.168320D+01 -0.125730D+01
      3  -0.115576D+01 -0.804273D+00 -0.590359D+00 -0.161484D+01 -0.727745D+00
               396           397           398           399           400 
      1  -0.161484D+01 -0.661620D+01  0.215345D+01  0.204678D+01  0.642448D+01
      2  -0.727745D+00  0.215345D+01 -0.130455D+01 -0.626867D+00 -0.211513D+01
      3  -0.403622D+01  0.204678D+01 -0.626867D+00 -0.152139D+01 -0.193388D+01
               401           402           403           404           405 
      1  -0.211513D+01 -0.193388D+01  0.308896D+01 -0.708529D+00 -0.226560D+01
      2   0.176943D+01  0.107489D+01 -0.708529D+00  0.958156D+00  0.315735D+00
      3   0.107489D+01  0.124229D+01 -0.226560D+01  0.315735D+00  0.144958D+01
               406           407           408           409           410 
      1  -0.947630D+00 -0.590162D+00  0.756315D+00 -0.244888D+01 -0.256363D+01
      2  -0.590162D+00 -0.311371D+00  0.126732D+00 -0.256363D+01 -0.467774D+01
      3   0.756315D+00  0.126732D+00 -0.427131D+00  0.139334D+01  0.275342D+01
               411           412           413           414           415 
      1   0.139334D+01  0.259075D+01  0.145229D+01 -0.199023D+01  0.268918D+01
      2   0.275342D+01  0.145229D+01  0.283132D+01 -0.250225D+01 -0.218797D+01
      3  -0.261807D+01 -0.199023D+01 -0.250225D+01  0.295845D+01 -0.104547D+01
               416           417           418           419           420 
      1  -0.218797D+01 -0.104547D+01 -0.159801D+01  0.144374D+01  0.591973D+00
      2   0.305133D+01  0.796965D+00  0.144374D+01 -0.348295D+01 -0.123620D+01
      3   0.796965D+00  0.149754D+01  0.591973D+00 -0.123620D+01 -0.740327D+00
               421           422           423           424           425 
      1  -0.173910D+01  0.100061D+01  0.128335D+01 -0.520407D+01 -0.392742D+01
      2   0.100061D+01 -0.290681D+01 -0.125220D+01 -0.392742D+01 -0.510758D+01
      3   0.128335D+01 -0.125220D+01 -0.128344D+01  0.500767D+00  0.807598D+00
               426           427           428           429           430 
      1   0.500767D+00 -0.260346D+01 -0.325559D+01  0.495929D+00 -0.493688D-01
      2   0.807598D+00 -0.325559D+01 -0.552933D+01  0.466710D+00  0.274110D+00
      3  -0.740558D+00  0.495929D+00  0.466710D+00 -0.731598D+00 -0.477882D+00
               431           432           433           434           435 
      1   0.274110D+00 -0.477882D+00  0.872443D+00 -0.844975D+00  0.109807D+01
      2  -0.139216D+00 -0.880446D+00 -0.844975D+00  0.903122D+00 -0.524952D+00
      3  -0.880446D+00  0.576802D+00  0.109807D+01 -0.524952D+00  0.214901D+01
               436           437           438           439           440 
      1   0.230547D-01  0.296499D+00  0.853165D-01  0.114750D+01 -0.369091D+00
      2   0.296499D+00 -0.276085D-01  0.719440D+00 -0.369091D+00  0.212350D+01
      3   0.853165D-01  0.719440D+00 -0.172116D+00  0.138535D+01 -0.187773D+01
               441           442           443           444           445 
      1   0.138535D+01  0.249225D+00  0.248946D+00  0.897265D+00  0.837438D+00
      2  -0.187773D+01  0.248946D+00  0.762744D-01 -0.134273D+00  0.794590D+00
      3   0.609738D+01  0.897265D+00 -0.134273D+00  0.395651D+00  0.740837D+00
               446           447           448           449           450 
      1   0.794590D+00  0.740837D+00  0.110860D+01  0.415608D+00  0.106585D+01
      2   0.345057D+01  0.289282D+01  0.415608D+00  0.204953D+01  0.256605D+01
      3   0.289282D+01  0.456948D+01  0.106585D+01  0.256605D+01  0.492128D+01
               451           452           453           454           455 
      1  -0.587130D+01 -0.225805D+01  0.232932D+00 -0.201351D+01 -0.977717D+00
      2  -0.225805D+01 -0.135382D+01 -0.283615D+00 -0.977717D+00 -0.741228D+00
      3   0.232932D+00 -0.283615D+00 -0.238592D+01 -0.125428D+00  0.647248D+00
               456           457           458           459           460 
      1  -0.125428D+00 -0.330106D+00 -0.265752D+00 -0.107049D+01  0.339351D+01
      2   0.647248D+00 -0.265752D+00  0.488156D+00 -0.406432D+00 -0.189099D+01
      3  -0.858006D+00 -0.107049D+01 -0.406432D+00  0.817599D-01  0.240875D+01
               461           462           463           464           465 
      1  -0.189099D+01  0.240875D+01 -0.269838D+01  0.196644D+01 -0.199902D+01
      2   0.163672D+01 -0.136145D+01  0.196644D+01 -0.253511D+01  0.234456D+01
      3  -0.136145D+01  0.298930D+01 -0.199902D+01  0.234456D+01 -0.275273D+01
               466           467           468           469           470 
      1   0.153424D+01 -0.949468D+00  0.207966D+01  0.944944D+00  0.590768D+00
      2  -0.949468D+00  0.143714D+01 -0.120752D+01  0.590768D+00  0.309386D+00
      3   0.207966D+01 -0.120752D+01  0.299929D+01  0.755469D+00  0.125529D+00
               471           472           473           474           475 
      1   0.755469D+00  0.245036D+01  0.256237D+01  0.139422D+01  0.258899D+01
      2   0.125529D+00  0.256237D+01  0.468056D+01  0.275691D+01  0.144839D+01
      3   0.426987D+00  0.139422D+01  0.275691D+01  0.262128D+01  0.199071D+01
               476           477           478           479           480 
      1   0.144839D+01  0.199071D+01  0.659494D+01 -0.215326D+01  0.204814D+01
      2   0.282946D+01  0.249954D+01 -0.215326D+01  0.130398D+01 -0.629842D+00
      3   0.249954D+01  0.295687D+01  0.204814D+01 -0.629842D+00  0.152387D+01
               481           482           483           484           485 
      1  -0.642045D+01  0.211599D+01 -0.194109D+01  0.309766D+01 -0.713347D+00
      2   0.211599D+01 -0.177204D+01  0.107966D+01 -0.713347D+00  0.960970D+00
      3  -0.194109D+01  0.107966D+01 -0.124865D+01  0.227378D+01 -0.320420D+00
               486           487           488           489           490 
      1   0.227378D+01  0.285772D+01  0.487987D+00 -0.149066D+01  0.661715D+00
      2  -0.320420D+00  0.487987D+00  0.764380D+00 -0.108255D+01  0.114213D+01
      3   0.145869D+01 -0.149066D+01 -0.108255D+01  0.142048D+01 -0.114729D+01
               491           492           493           494           495 
      1   0.114213D+01 -0.114729D+01 -0.371699D+01 -0.168906D+01  0.153036D+01
      2   0.118411D+01 -0.811698D+00 -0.168906D+01 -0.126224D+01  0.701325D+00
      3  -0.811698D+00  0.575484D+00  0.153036D+01  0.701325D+00 -0.413094D+01
               496           497           498           499           500 
      1   0.135767D+02  0.626540D+00 -0.334969D+01  0.711838D+00  0.130707D+01
      2   0.626540D+00  0.113992D+01  0.214185D+00  0.130707D+01 -0.439864D-01
      3  -0.334969D+01  0.214185D+00  0.281096D+01  0.360367D+00 -0.116427D+00
               501           502           503           504           505 
      1   0.360367D+00 -0.170319D+01  0.248790D+00  0.227720D+01  0.384796D+00
      2  -0.116427D+00  0.248790D+00  0.534232D+00  0.459017D+00 -0.380374D+00
      3   0.544756D+00  0.227720D+01  0.459017D+00 -0.102039D+00 -0.893820D+00
               506           507           508           509           510 
      1  -0.380374D+00 -0.893820D+00 -0.574399D+00 -0.587918D-01  0.317513D+00
      2  -0.654635D+00 -0.623120D+00 -0.587918D-01 -0.160768D+01 -0.180427D+01
      3  -0.623120D+00 -0.191353D+01  0.317513D+00 -0.180427D+01 -0.307831D+01
               511           512           513           514           515 
      1  -0.802230D+00  0.331554D+00  0.313285D+00 -0.198958D+01  0.121493D+01
      2   0.331554D+00 -0.159127D+01 -0.226387D+01  0.121493D+01 -0.101848D+01
      3   0.313285D+00 -0.226387D+01 -0.607922D+01 -0.173523D+01  0.135538D+01
               516           517           518           519           520 
      1  -0.173523D+01  0.641072D+00  0.143875D-01  0.277134D+00 -0.794102D+00
      2   0.135538D+01  0.143875D-01  0.137442D+01 -0.136565D+01  0.498524D+00
      3  -0.355628D+01  0.277134D+00 -0.136565D+01  0.108557D+01 -0.148458D+01
               521           522           523           524           525 
      1   0.498524D+00 -0.148458D+01  0.517363D+01  0.352180D+01 -0.146069D+01
      2  -0.141661D+01  0.178475D+01  0.352180D+01  0.427004D+01 -0.935437D+00
      3   0.178475D+01 -0.470701D+01 -0.146069D+01 -0.935437D+00  0.106067D+01
               526           527           528           529           530 
      1   0.479898D+01  0.481045D+01 -0.151080D+01  0.871372D+00  0.419855D+00
      2   0.481045D+01  0.626213D+01 -0.201426D+01  0.419855D+00 -0.878218D+00
      3  -0.151080D+01 -0.201426D+01  0.163564D+01  0.499629D+00  0.101431D+01
               531           532           533           534           535 
      1   0.499629D+00  0.414172D+01 -0.292794D+01  0.404469D+00 -0.385303D+01
      2   0.101431D+01 -0.292794D+01  0.195609D+01 -0.380397D+00  0.279169D+01
      3  -0.647079D+00  0.404469D+00 -0.380397D+00  0.920809D+00 -0.400270D+00
               536           537           538           539           540 
      1   0.279169D+01 -0.400270D+00  0.766208D+00 -0.886894D+00  0.139609D+01
      2  -0.474260D+01  0.496424D+00 -0.886894D+00  0.527759D+00 -0.712650D+00
      3   0.496424D+00 -0.512550D+00  0.139609D+01 -0.712650D+00  0.495511D+00
               541           542           543           544           545 
      1   0.521411D+01  0.392699D+01  0.503830D+00  0.260104D+01  0.325670D+01
      2   0.392699D+01  0.510982D+01  0.808341D+00  0.325670D+01  0.551944D+01
      3   0.503830D+00  0.808341D+00  0.740544D+00  0.496790D+00  0.467335D+00
               546           547           548           549           550 
      1   0.496790D+00 -0.440253D-01  0.275982D+00  0.478281D+00 -0.267882D+01
      2   0.467335D+00  0.275982D+00 -0.134803D+00  0.881375D+00  0.218437D+01
      3   0.731742D+00  0.478281D+00  0.881375D+00  0.577228D+00 -0.104558D+01
               551           552           553           554           555 
      1   0.218437D+01 -0.104558D+01  0.159121D+01 -0.144313D+01  0.593008D+00
      2  -0.305074D+01  0.800426D+00 -0.144313D+01  0.348663D+01 -0.124165D+01
      3   0.800426D+00 -0.149965D+01  0.593008D+00 -0.124165D+01  0.744636D+00
               556           557           558           559           560 
      1  -0.173669D+01  0.100113D+01 -0.128471D+01 -0.877454D+00  0.846078D+00
      2   0.100113D+01 -0.291556D+01  0.125834D+01  0.846078D+00 -0.909574D+00
      3  -0.128471D+01  0.125834D+01 -0.129109D+01  0.110086D+01 -0.527303D+00
               561           562           563           564           565 
      1   0.110086D+01 -0.232473D-01 -0.299164D+00  0.837655D-01  0.114871D+01
      2  -0.527303D+00 -0.299164D+00  0.316594D-01  0.721402D+00 -0.369919D+00
      3  -0.215276D+01  0.837655D-01  0.721402D+00  0.174119D+00 -0.138849D+01
               566           567 
      1  -0.369919D+00 -0.138849D+01
      2   0.212429D+01  0.187588D+01
      3   0.187588D+01  0.608809D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.641380D+01 -0.718307D+01 -0.887780D+00  0.119194D+01  0.245029D+01
      2  -0.902829D+01  0.140468D+01  0.167234D+02 -0.677146D+01  0.526465D+01
      3   0.148949D+02 -0.789753D+01 -0.294911D+01 -0.886879D+01  0.201114D+01
                 6             7             8             9            10 
      1  -0.316407D+01 -0.350084D+01  0.599581D+01 -0.745806D+01 -0.359840D+01
      2   0.202635D+02  0.115684D+02  0.201190D+02  0.438808D+01 -0.124069D+01
      3  -0.200599D+01  0.455243D+01  0.943095D+01 -0.212685D+02 -0.179005D+02
                11            12            13            14            15 
      1   0.603622D+01  0.146134D+01 -0.309927D-01  0.822979D+00 -0.417102D+01
      2   0.335872D+01 -0.824060D+01  0.951860D+01 -0.103092D+02 -0.221836D+02
      3   0.220074D+02 -0.630457D+01  0.706970D+02  0.419093D+01  0.106530D+02
                16            17            18            19            20 
      1   0.150119D+02  0.521344D+01  0.367425D+01  0.151175D+02 -0.637327D+01
      2  -0.250988D+02 -0.184463D+02  0.963654D+00  0.416921D+01  0.499617D+01
      3  -0.149208D+02 -0.547003D+01  0.188200D+02 -0.877009D+01 -0.672195D+02
                21            22            23            24            25 
      1  -0.123925D+00  0.423573D+02  0.344890D+01 -0.136874D+01  0.328176D+01
      2   0.544171D+01 -0.117107D+03  0.943689D+01  0.527518D+01  0.113803D+03
      3  -0.449650D+01  0.131106D+03 -0.641774D+02 -0.803450D+01  0.610047D+02
                26            27            28            29            30 
      1  -0.344294D+00  0.125304D+01  0.943919D+01  0.223232D+01  0.192747D+01
      2   0.188309D+01  0.288720D+01 -0.238376D+03 -0.168596D+02 -0.165140D+02
      3  -0.106773D+02 -0.132223D+02  0.222942D+03 -0.411931D+02 -0.716796D+01
                31            32            33            34            35 
      1   0.165855D+02 -0.879370D+01  0.499673D+01  0.266721D+02  0.801905D+01
      2  -0.270867D+02 -0.203807D+02  0.337888D+00  0.120075D+01  0.736277D+01
      3  -0.134282D+02 -0.810684D+01 -0.432412D+00  0.745669D+02 -0.704712D+01
                36            37            38            39            40 
      1   0.159840D+00  0.118216D+02 -0.269436D+01  0.393359D+01 -0.919723D+01
      2   0.258637D+01 -0.653016D+01  0.126502D+02 -0.615695D+01  0.658516D+02
      3  -0.140985D+02 -0.221663D+01  0.162979D+00 -0.950215D+01  0.121953D+02
                41            42            43            44            45 
      1   0.342727D+01 -0.103285D+02 -0.147000D+01  0.187382D+02 -0.443934D+01
      2   0.703475D+01  0.122322D+02 -0.156763D+03 -0.254468D+02  0.565451D+01
      3   0.124448D+02  0.136657D+02 -0.454690D+02  0.959916D+01 -0.372519D+01
                46            47            48            49            50 
      1   0.459155D+01  0.369778D+01 -0.813912D+01  0.937807D+01 -0.862338D+01
      2   0.277997D+02 -0.137203D+01  0.182785D+02  0.271333D+02  0.797554D+01
      3   0.260389D+02  0.389006D+01  0.547997D+01  0.195501D+02 -0.139653D+02
                51            52            53            54            55 
      1  -0.320041D+01 -0.125876D+02  0.130273D+01  0.683093D+01 -0.111517D+02
      2  -0.486242D+01  0.300804D+02  0.103815D+01 -0.235684D+01  0.105687D+01
      3  -0.101366D+02  0.346137D+01 -0.528332D+01  0.135869D+02  0.237247D+02
                56            57            58            59            60 
      1   0.551624D+01 -0.589066D+01  0.875109D+01 -0.518017D+00 -0.934725D+00
      2  -0.642677D+01  0.235841D+02 -0.467189D+02  0.783016D+01  0.130709D+02
      3  -0.101669D+02  0.107914D+02 -0.298610D+02 -0.135898D+02 -0.209074D+02
                61            62            63            64            65 
      1  -0.900265D+01  0.506060D+01  0.460778D+01  0.247427D+02  0.247162D+01
      2   0.309743D+02  0.144789D+02 -0.106858D+02 -0.519981D+02 -0.268773D+02
      3   0.931123D+01 -0.178889D+02 -0.997324D+01  0.208388D+02  0.387888D+02
                66            67            68            69            70 
      1   0.681225D+00 -0.173653D+01  0.209641D+01 -0.357960D+01  0.164175D+01
      2   0.287490D+02 -0.140056D+03 -0.165465D+02  0.904353D+01  0.218018D+03
      3   0.255599D+02 -0.406268D+03 -0.689717D+02  0.119196D+02 -0.877104D+02
                71            72            73            74            75 
      1  -0.137137D+02 -0.221570D+01  0.100346D+00 -0.233664D-01  0.320166D+01
      2   0.144630D+02  0.313383D+01 -0.449578D+00 -0.294750D-01 -0.507721D+02
      3  -0.309991D+01  0.210643D+01  0.331328D+02 -0.347260D+02 -0.963982D-02
                76            77            78            79            80 
      1   0.443576D+00  0.240261D-01 -0.132061D+01  0.742644D+02  0.419612D+02
      2  -0.639971D+00 -0.253719D+00 -0.479810D+01 -0.961816D+03  0.119759D+02
      3   0.105846D+04 -0.202296D+02 -0.193011D+00 -0.564343D-01  0.337828D-01
                81            82            83            84            85 
      1  -0.983131D-02  0.104136D+03  0.518613D+01 -0.297344D+01 -0.509792D+02
      2   0.115752D+00 -0.314636D+03 -0.325628D+02  0.193935D+02  0.392002D+03
      3   0.695998D+01  0.392272D+02  0.421972D+02  0.208118D+02 -0.331678D+03
                86            87            88            89            90 
      1  -0.171527D+00 -0.117151D+01 -0.594240D+02 -0.138457D+02 -0.204865D+01
      2   0.219535D+02 -0.563853D+01  0.236669D+03 -0.227753D+02 -0.103129D+01
      3   0.610555D+02 -0.166868D+02 -0.972304D+02 -0.149791D+01 -0.395922D+01
                91            92            93            94            95 
      1  -0.789635D+02 -0.314158D+01 -0.857243D-02 -0.470039D+02  0.496081D+01
      2   0.747331D+02 -0.415412D+01 -0.125187D+02  0.334451D+02  0.673505D+01
      3  -0.327045D+03  0.111018D+02 -0.638638D+01  0.147015D+03  0.126381D+03
                96            97            98            99           100 
      1  -0.151674D+01 -0.247679D+02  0.130975D+02  0.150569D+01  0.172526D+01
      2  -0.100214D+02 -0.209200D+02 -0.175313D+02 -0.737229D+01 -0.113227D+02
      3   0.157320D+02  0.563999D+02  0.182782D+02  0.258490D+02 -0.187353D+02
               101           102           103           104           105 
      1   0.314981D+01 -0.387607D+01 -0.928296D+01 -0.573095D+01  0.672845D-01
      2  -0.251390D+01 -0.464560D+01  0.358392D+02 -0.708901D+00 -0.356152D+00
      3   0.227779D+02  0.920104D+00 -0.773021D+02 -0.513538D+02 -0.719425D+01
               106           107           108           109           110 
      1   0.238589D+02  0.167631D+02  0.105775D+01  0.124172D+02 -0.650007D+00
      2  -0.564340D+02  0.197636D+02 -0.456654D+00 -0.421872D+01 -0.734709D+00
      3  -0.262549D+02  0.229865D+01 -0.174308D+00 -0.802497D+01 -0.194153D+02
               111           112           113           114           115 
      1   0.437203D+01 -0.103753D+02  0.392097D+01 -0.495499D+01  0.950473D+01
      2   0.605182D+01  0.611100D+01  0.286992D+01 -0.416780D+01 -0.238314D+01
      3  -0.533443D+01  0.130116D+02  0.210178D+02 -0.293454D+01  0.136357D+01
               116           117           118           119           120 
      1  -0.486417D+01  0.138560D+02 -0.506657D+01  0.597235D+01 -0.121273D+02
      2  -0.690407D+01  0.140495D+02 -0.108673D+02 -0.218685D+01  0.111939D+02
      3  -0.185029D+02  0.313270D+00  0.706774D+01 -0.202005D+02  0.649169D+01
               121           122           123           124           125 
      1   0.266420D+01 -0.848182D+01  0.338016D+00 -0.114186D+02  0.932968D+01
      2  -0.725740D+00  0.629170D+01  0.409922D+00  0.970667D+01  0.129364D+01
      3  -0.382352D+01 -0.767968D+01 -0.136272D+02  0.141187D+02 -0.135649D+02
               126           127           128           129           130 
      1   0.146942D+02  0.723280D+01 -0.443486D+01  0.669821D+01 -0.100074D+02
      2  -0.127305D+02 -0.776238D+01  0.668216D+01 -0.157742D+02  0.223055D+02
      3   0.148528D+02 -0.289870D+02  0.883376D+01 -0.125361D+02  0.400126D+02
               131           132           133           134           135 
      1   0.178756D+01 -0.187897D+01  0.908089D+01  0.419691D+01 -0.614259D+01
      2  -0.146674D+02 -0.192253D+02 -0.352666D+02 -0.245875D+02  0.129689D+02
      3   0.124235D+02  0.251560D+02 -0.112485D+02  0.215328D+02  0.149918D+02
               136           137           138           139           140 
      1   0.138687D+02 -0.257753D+01  0.702872D+01 -0.769507D+01  0.155057D+00
      2  -0.236978D+02 -0.545282D+01 -0.422193D+01 -0.948099D+01 -0.170385D+02
      3  -0.196668D+02  0.180755D+01 -0.835760D+01  0.133451D+02  0.514675D+01
               141           142           143           144           145 
      1  -0.163160D+02  0.460527D+01 -0.653789D+01 -0.803676D+01 -0.248701D+02
      2  -0.156769D+02 -0.746109D+01 -0.117914D+02  0.143584D+02  0.520783D+02
      3   0.185452D+02 -0.178272D+01  0.145100D+02  0.939584D+01  0.240115D+02
               146           147           148           149           150 
      1  -0.242153D+01  0.692188D+00  0.158358D+01 -0.218863D+01 -0.356132D+01
      2   0.271704D+02  0.287612D+02  0.139775D+03  0.165471D+02  0.901812D+01
      3   0.386641D+02 -0.255191D+02 -0.403817D+03 -0.690746D+02 -0.117725D+02
               151           152           153           154           155 
      1   0.164189D+01 -0.136912D+02  0.222135D+01 -0.922636D+01 -0.226939D+01
      2   0.217895D+03  0.143100D+02 -0.320347D+01  0.238554D+03  0.166881D+02
      3   0.875273D+02  0.309090D+01  0.208967D+01  0.224026D+03 -0.411621D+02
               156           157           158           159           160 
      1   0.193921D+01 -0.168077D+02  0.887223D+01  0.498896D+01  0.268658D+02
      2  -0.165797D+02  0.276039D+02  0.206982D+02  0.340195D+00  0.964360D+00
      3   0.704634D+01 -0.123910D+02 -0.817858D+01  0.453959D+00 -0.748045D+02
               161           162           163           164           165 
      1   0.799855D+01 -0.160800D+00 -0.118235D+02  0.268628D+01  0.392029D+01
      2   0.735708D+01 -0.260312D+01  0.666607D+01 -0.126402D+02 -0.611348D+01
      3   0.710061D+01 -0.140799D+02 -0.228591D+01  0.135134D+00  0.950621D+01
               166           167           168           169           170 
      1   0.918866D+01 -0.341819D+01 -0.103075D+02 -0.157987D+01  0.187573D+02
      2  -0.659149D+02 -0.704531D+01  0.121959D+02 -0.156606D+03 -0.254772D+02
      3   0.119864D+02  0.124102D+02 -0.136540D+02  0.455322D+02 -0.957661D+01
               171           172           173           174           175 
      1   0.447466D+01  0.111918D+02 -0.550138D+01 -0.587118D+01 -0.873335D+01
      2  -0.568300D+01 -0.113048D+01  0.636562D+01  0.235132D+02  0.466437D+02
      3  -0.367562D+01  0.238122D+02 -0.101042D+02 -0.107531D+02 -0.297459D+02
               176           177           178           179           180 
      1   0.529531D+00 -0.965705D+00 -0.896503D+01  0.504165D+01 -0.463969D+01
      2  -0.783143D+01  0.131359D+02  0.308819D+02  0.145101D+02  0.107617D+02
      3  -0.135780D+02  0.208731D+02 -0.919455D+01  0.178714D+02 -0.100427D+02
               181           182           183           184           185 
      1   0.357785D+01 -0.604824D+01  0.146486D+01  0.422967D-01 -0.846814D+00
      2   0.125624D+01 -0.333646D+01 -0.820976D+01 -0.947377D+01  0.102773D+02
      3  -0.179860D+02  0.219358D+02  0.628374D+01  0.706832D+02  0.416326D+01
               186           187           188           189           190 
      1  -0.416174D+01  0.149825D+02  0.519341D+01 -0.367743D+01 -0.150917D+02
      2  -0.222064D+02 -0.250521D+02 -0.184634D+02 -0.102570D+01 -0.441904D+01
      3  -0.106088D+02  0.149365D+02  0.552160D+01  0.188399D+02 -0.916206D+01
               191           192           193           194           195 
      1   0.639334D+01 -0.125486D+00 -0.421302D+02 -0.345649D+01 -0.135992D+01
      2  -0.499608D+01  0.543107D+01  0.117060D+03 -0.975080D+01  0.525441D+01
      3  -0.672345D+02  0.447110D+01  0.130965D+03 -0.642085D+02  0.795284D+01
               196           197           198           199           200 
      1   0.334709D+01 -0.341025D+00 -0.123729D+01  0.644178D+01  0.720316D+01
      2   0.113644D+03  0.189801D+01 -0.294240D+01  0.884183D+01 -0.152348D+01
      3  -0.613413D+02  0.105836D+02 -0.131435D+02  0.149086D+02 -0.791072D+01
               201           202           203           204           205 
      1  -0.968350D+00 -0.114285D+01 -0.240364D+01 -0.323924D+01 -0.356134D+01
      2   0.169386D+02  0.658894D+01 -0.537086D+01  0.205452D+02  0.117509D+02
      3   0.306002D+01 -0.889890D+01  0.193527D+01  0.205794D+01 -0.444634D+01
               206           207           208           209           210 
      1   0.596847D+01  0.757466D+01 -0.464819D+01 -0.370150D+01 -0.806389D+01
      2   0.203005D+02 -0.473600D+01 -0.276054D+02  0.136738D+01  0.180892D+02
      3  -0.939415D+01 -0.213964D+02  0.260232D+02  0.390326D+01 -0.543332D+01
               211           212           213           214           215 
      1  -0.937797D+01  0.862895D+01 -0.324626D+01 -0.125101D+02  0.128075D+01
      2  -0.271956D+02 -0.801393D+01 -0.475969D+01  0.298260D+02  0.108464D+01
      3   0.196544D+02 -0.139404D+02  0.101459D+02 -0.344000D+01  0.529812D+01
               216           217           218           219           220 
      1  -0.692647D+01 -0.138594D+02  0.262278D+01  0.697996D+01  0.775759D+01
      2   0.258151D+01  0.237466D+02  0.551752D+01 -0.416425D+01  0.952539D+01
      3   0.134617D+02 -0.196471D+02  0.187994D+01  0.829301D+01  0.134506D+02
               221           222           223           224           225 
      1  -0.206567D+00 -0.163167D+02  0.454493D+01 -0.653526D+01  0.807970D+01
      2   0.170010D+02 -0.157082D+02 -0.738693D+01 -0.118106D+02 -0.143558D+02
      3   0.509341D+01 -0.185636D+02  0.168185D+01 -0.145409D+02  0.948961D+01
               226           227           228           229           230 
      1  -0.728910D+01  0.443090D+01  0.668168D+01  0.100067D+02 -0.177075D+01
      2   0.793074D+01 -0.668173D+01 -0.156948D+02 -0.223297D+02  0.145656D+02
      3  -0.291467D+02  0.880539D+01  0.125960D+02  0.399442D+02  0.124020D+02
               231           232           233           234           235 
      1  -0.187427D+01  0.905953D+01  0.421207D+01  0.618465D+01  0.512713D+01
      2  -0.191314D+02 -0.351931D+02 -0.245411D+02 -0.131057D+02  0.108574D+02
      3  -0.250470D+02  0.112690D+02 -0.214593D+02  0.149587D+02  0.717494D+01
               236           237           238           239           240 
      1  -0.595144D+01 -0.120862D+02 -0.264874D+01  0.848181D+01  0.291881D+00
      2   0.215266D+01  0.111491D+02  0.705274D+00 -0.628815D+01  0.450116D+00
      3  -0.201843D+02 -0.651821D+01 -0.389947D+01 -0.767960D+01  0.136194D+02
               241           242           243           244           245 
      1  -0.113979D+02  0.929466D+01 -0.147528D+02  0.786944D+02  0.311594D+01
      2   0.969055D+01  0.132960D+01  0.127711D+02 -0.744652D+02  0.439969D+01
      3  -0.141530D+02  0.135393D+02  0.147915D+02 -0.326603D+03  0.110288D+02
               246           247           248           249           250 
      1  -0.787698D-02  0.470113D+02 -0.500752D+01 -0.153044D+01 -0.245948D+02
      2  -0.124862D+02 -0.337057D+02 -0.659992D+01 -0.100206D+02 -0.207766D+02
      3   0.649343D+01  0.145591D+03  0.126612D+03 -0.157463D+02 -0.563812D+02
               251           252           253           254           255 
      1   0.131095D+02 -0.150412D+01 -0.176227D+01 -0.314908D+01 -0.387682D+01
      2  -0.175280D+02  0.737437D+01  0.113365D+02  0.250133D+01 -0.465163D+01
      3  -0.181902D+02  0.258563D+02 -0.185468D+02  0.228595D+02 -0.918537D+00
               256           257           258           259           260 
      1   0.926323D+01  0.569703D+01  0.661702D-01  0.237891D+02  0.167630D+02
      2  -0.356680D+02  0.735599D+00 -0.355702D+00 -0.563828D+02  0.197811D+02
      3  -0.771326D+02 -0.514985D+02  0.721940D+01  0.263429D+02 -0.230587D+01
               261           262           263           264           265 
      1  -0.106813D+01 -0.124112D+02  0.632706D+00  0.437769D+01  0.103561D+02
      2   0.457711D+00  0.423216D+01  0.744480D+00  0.605280D+01 -0.612346D+01
      3  -0.189414D+00 -0.798527D+01 -0.195988D+02  0.534124D+01  0.128466D+02
               266           267           268           269           270 
      1  -0.393076D+01 -0.495830D+01  0.949599D+01 -0.486273D+01 -0.138523D+02
      2  -0.286259D+01 -0.416455D+01 -0.237221D+01 -0.690356D+01 -0.140457D+02
      3   0.207419D+02  0.292433D+01 -0.148863D+01  0.184563D+02  0.303327D+00
               271           272           273           274           275 
      1  -0.104075D+03 -0.512449D+01 -0.295402D+01  0.506772D+02  0.216090D+00
      2   0.314604D+03  0.322743D+02  0.193242D+02 -0.391298D+03 -0.218132D+02
      3   0.421565D+02  0.421490D+02 -0.208513D+02 -0.333740D+03  0.609698D+02
               276           277           278           279           280 
      1  -0.119023D+01 -0.594777D+02 -0.138589D+02  0.205599D+01  0.110804D+02
      2  -0.556356D+01  0.236013D+03 -0.229000D+02  0.974434D+00  0.268755D+00
      3   0.167962D+02  0.976236D+02  0.132679D+01 -0.399090D+01 -0.525409D+01
               281           282           283           284           285 
      1   0.322740D+01  0.460639D+01 -0.691451D+01  0.892668D+00 -0.113478D+01
      2  -0.125362D+00  0.661004D+01  0.407148D+01 -0.527810D+00 -0.125859D+01
      3  -0.247764D+02 -0.198442D+01  0.644517D+01  0.835269D+01 -0.420200D+01
               286           287           288           289           290 
      1   0.647811D+01  0.153025D+00  0.115737D+02 -0.160086D+01 -0.359566D+00
      2   0.102561D+02 -0.268253D+01  0.119728D+02  0.760956D+01  0.193242D+01
      3   0.280421D+01 -0.135426D+02 -0.186119D+01  0.436022D+02  0.125736D+02
               291           292           293           294           295 
      1  -0.345564D+01 -0.295761D+01 -0.121678D+01 -0.565432D+01 -0.291206D+01
      2  -0.171749D+00  0.752028D+01  0.364897D+01 -0.136420D+01 -0.301853D+00
      3  -0.365303D+01  0.348056D+02  0.317559D+02 -0.438216D+01 -0.898511D+01
               296           297           298           299           300 
      1  -0.342339D+01  0.293315D+01  0.161251D+01  0.363394D+00 -0.345510D+01
      2  -0.476507D+01  0.281684D+01 -0.764650D+01 -0.194010D+01 -0.173350D+00
      3  -0.372406D+01  0.829202D+01  0.436496D+02  0.125821D+02  0.365268D+01
               301           302           303           304           305 
      1   0.295713D+01  0.122583D+01 -0.565769D+01 -0.291620D+01 -0.342089D+01
      2  -0.757829D+01 -0.365653D+01 -0.136015D+01 -0.316991D+00 -0.476337D+01
      3   0.348357D+02  0.317412D+02  0.437589D+01  0.899139D+01  0.373107D+01
               306           307           308           309           310 
      1  -0.293714D+01 -0.110798D+02 -0.323226D+01  0.460735D+01  0.692972D+01
      2  -0.281592D+01 -0.223153D+00  0.139320D+00  0.660548D+01 -0.412070D+01
      3   0.829028D+01 -0.540621D+01 -0.247569D+02  0.197805D+01  0.654767D+01
               311           312           313           314           315 
      1  -0.881655D+00 -0.113667D+01  0.646751D+01  0.152332D+00 -0.115669D+02
      2   0.515630D+00 -0.126284D+01  0.102281D+02 -0.269176D+01 -0.119599D+02
      3   0.834708D+01  0.420088D+01 -0.267942D+01  0.135206D+02 -0.185020D+01
               316           317           318           319           320 
      1  -0.162589D+00  0.573300D+01 -0.245130D+01  0.234706D+01  0.390189D+01
      2  -0.308169D+01 -0.134654D+01  0.517042D+01  0.610980D+01  0.538040D+01
      3  -0.366202D+01 -0.148270D+02 -0.148766D+01 -0.980420D+01 -0.200395D+02
               321           322           323           324           325 
      1  -0.422073D+01 -0.123096D+01  0.639565D+00  0.529407D+00 -0.179306D+01
      2   0.815717D+01 -0.654592D+01  0.296801D+01  0.311119D+01  0.149196D+02
      3  -0.647994D+01  0.150659D+01 -0.593973D+01 -0.416582D+01 -0.126705D+02
               326           327           328           329           330 
      1   0.199657D-01  0.705187D+01 -0.956684D-01 -0.964374D+00 -0.132072D+01
      2  -0.723796D+01 -0.174957D+02 -0.172447D+01  0.677622D+01  0.530959D+01
      3   0.691626D+01  0.111933D+02  0.335699D+01 -0.637732D+01 -0.731981D+01
               331           332           333           334           335 
      1   0.314515D+01  0.539828D-01 -0.779932D+01  0.260414D+00  0.419679D+01
      2  -0.667542D+01  0.105039D+02  0.234573D+02 -0.537047D+01 -0.245812D+01
      3   0.570749D+01 -0.773655D+01 -0.132996D+02 -0.163047D+01 -0.107520D+02
               336           337           338           339           340 
      1  -0.206310D+01  0.453717D+01  0.171764D+01 -0.208160D+01  0.543614D+00
      2   0.141587D+02 -0.291121D+01 -0.212736D+01  0.421316D+01  0.102291D+02
      3   0.232316D+01 -0.334229D+01 -0.600528D+00 -0.205496D+00  0.491453D+01
               341           342           343           344           345 
      1  -0.253180D+00  0.391730D+00 -0.160777D+01 -0.269410D+01  0.137115D+01
      2   0.295156D+01 -0.295567D+01  0.582377D+01  0.430713D+01 -0.113367D+02
      3   0.197730D+01 -0.196783D+01  0.208661D+01  0.339878D+01 -0.352587D+01
               346           347           348           349           350 
      1  -0.961179D+00 -0.556615D+01  0.312783D+01 -0.175233D+01  0.546959D+01
      2   0.480558D+00  0.104203D+02 -0.165690D+02 -0.218544D+01 -0.120687D+02
      3   0.257401D+01  0.102057D+02 -0.101228D+02 -0.382764D+00 -0.847941D+01
               351           352           353           354           355 
      1  -0.600464D+01 -0.906742D+00 -0.323107D+00  0.185731D+01  0.230381D+01
      2   0.324042D+02 -0.137352D+01  0.221664D+01  0.640920D+01  0.275741D+01
      3   0.134364D+02  0.496295D+01 -0.117000D+02 -0.159061D+01 -0.126782D+02
               356           357           358           359           360 
      1  -0.103643D+01 -0.264368D+01 -0.195467D+01  0.192165D+01 -0.105076D+01
      2  -0.303024D+01 -0.368433D+01  0.641929D+01 -0.317971D+01 -0.306615D+01
      3   0.266584D+02  0.233264D+01 -0.378827D+01  0.290560D+01  0.357049D+01
               361           362           363           364           365 
      1   0.747148D+01  0.358404D+01  0.776108D+00  0.380066D+01  0.346397D+01
      2  -0.231976D+02 -0.772011D+01 -0.802853D+01 -0.806693D+01 -0.669560D+01
      3   0.122184D+02  0.302724D+01 -0.148532D+01  0.507007D+01  0.292368D+01
               366           367           368           369           370 
      1   0.844030D+00  0.120413D+01  0.248891D+01  0.981422D+00  0.244058D+00
      2  -0.263793D+01 -0.504442D+01 -0.662029D+00 -0.307271D+01 -0.416226D+01
      3   0.240096D+01 -0.141422D+01  0.163054D+01  0.118619D+01  0.936485D+00
               371           372           373           374           375 
      1  -0.688802D+00 -0.618246D+00 -0.143858D+01 -0.116564D+02  0.379508D+01
      2   0.141460D+01  0.838709D+00  0.913560D+00 -0.125667D+02  0.208913D+02
      3  -0.116142D+01 -0.123130D+01 -0.920779D+00 -0.159920D+02  0.127139D+02
               376           377           378           379           380 
      1   0.434304D+00  0.743575D+01 -0.406049D+01  0.747422D+01 -0.691429D+01
      2  -0.299610D+00  0.110930D+02 -0.214982D+02 -0.353261D+01  0.137274D+01
      3  -0.114086D+01  0.915163D+01 -0.110192D+02  0.897622D+01 -0.991376D+01
               381           382           383           384           385 
      1  -0.513266D+01 -0.712976D+01  0.107855D+02  0.702779D+01 -0.406304D+01
      2   0.106793D+02 -0.622957D+00 -0.730692D+01 -0.866428D+01  0.228759D+01
      3  -0.776351D+01 -0.649589D+01  0.142445D+02  0.115443D+02 -0.332119D+01
               386           387           388           389           390 
      1   0.640334D+01  0.518478D+01 -0.298786D+01 -0.223398D+01 -0.392135D+01
      2  -0.335609D+01 -0.943907D+01  0.104178D+02  0.831224D+01  0.131080D+02
      3   0.765627D+01  0.651606D+01  0.262110D+01 -0.506520D+01 -0.545989D+01
               391           392           393           394           395 
      1  -0.344499D+01 -0.214860D+01 -0.264691D+01 -0.344470D+01 -0.638493D+00
      2   0.858276D+01  0.669620D+01  0.495979D+01  0.113529D+02  0.536774D+01
      3  -0.540389D+01 -0.599382D+01 -0.445578D+01 -0.524020D+01 -0.767022D+01
               396           397           398           399           400 
      1  -0.100227D+02  0.585190D+01 -0.365730D+01 -0.262404D+01 -0.648518D+01
      2   0.334341D+02 -0.177803D+01  0.351581D+01  0.100885D+02  0.833528D+01
      3  -0.175150D+01  0.214497D+02 -0.150963D+02 -0.780134D+01 -0.225179D+02
               401           402           403           404           405 
      1   0.464965D+01  0.197214D+01 -0.450412D+01  0.264340D+01  0.234022D+01
      2  -0.465429D+01 -0.812782D+01  0.102236D+02 -0.132610D+01 -0.784457D+01
      3   0.174224D+02  0.104230D+02 -0.872952D+01  0.881453D+01  0.563239D+01
               406           407           408           409           410 
      1   0.739707D+00 -0.400316D+00 -0.692638D+00 -0.465977D+00 -0.243945D+01
      2  -0.506915D+01 -0.620654D+00  0.301958D+01 -0.483880D+01 -0.167547D+02
      3  -0.221002D+01 -0.245247D+01 -0.424425D-01 -0.105815D+02 -0.299671D+02
               411           412           413           414           415 
      1  -0.319982D+01 -0.166956D+01  0.109709D+01  0.279960D+01 -0.585517D+01
      2   0.176171D+02  0.854931D+01  0.154378D+02 -0.182668D+02 -0.223831D+01
      3   0.168969D+02  0.419090D+01  0.185526D+02 -0.142842D+02 -0.210422D+02
               416           417           418           419           420 
      1   0.483914D+01  0.760591D+01  0.461504D+01 -0.681762D+01 -0.532866D+01
      2  -0.618631D+00 -0.238617D+01 -0.157643D+01  0.218620D+01  0.538815D+00
      3   0.188422D+02  0.831361D+01  0.207247D+02 -0.186197D+02 -0.745539D+01
               421           422           423           424           425 
      1   0.560831D+01 -0.483130D+01 -0.636172D+01 -0.625242D+00 -0.306559D+00
      2  -0.341857D+01  0.263603D+01  0.241215D+01 -0.248085D-01 -0.127638D+01
      3   0.145828D+02 -0.147205D+02 -0.105280D+02  0.346392D+01 -0.773582D+01
               426           427           428           429           430 
      1  -0.396502D+01 -0.803948D+00 -0.244669D+01 -0.367638D+01 -0.128639D+01
      2   0.412491D+01  0.431711D+01  0.253413D+00  0.315804D+01 -0.146248D+01
      3   0.142875D+01 -0.170241D+00 -0.108664D+02 -0.916672D-01  0.579897D+00
               431           432           433           434           435 
      1  -0.162596D+01  0.157003D+01  0.345033D+01 -0.679907D+00  0.797855D+01
      2   0.227461D+01 -0.190785D+01 -0.487746D+01  0.247113D+01 -0.749986D+01
      3  -0.198585D+01 -0.192126D+01 -0.597326D+01  0.579928D+01 -0.699918D+01
               436           437           438           439           440 
      1  -0.456253D-01  0.245634D+01 -0.142791D+00  0.529824D+01 -0.182665D+01
      2   0.470203D+00 -0.258467D+01  0.851932D+00 -0.964127D+01  0.721032D+01
      3   0.391896D+01 -0.706611D+00  0.226040D+01 -0.104263D+02  0.863587D+01
               441           442           443           444           445 
      1   0.232058D+02 -0.245332D+00  0.656950D+00 -0.612680D+00  0.141517D+01
      2  -0.210989D+02  0.416353D+01 -0.143770D+01  0.785554D+00 -0.941290D+00
      3  -0.146406D+02  0.935187D+00 -0.113115D+01  0.125045D+01 -0.885029D+00
               446           447           448           449           450 
      1   0.116893D+02  0.376436D+01  0.423049D+00  0.742154D+01  0.408226D+01
      2   0.125742D+02  0.209041D+02 -0.332514D+00  0.111035D+02  0.214502D+02
      3  -0.160042D+02 -0.126940D+02  0.117633D+01 -0.913956D+01 -0.110107D+02
               451           452           453           454           455 
      1  -0.749174D+01 -0.360155D+01  0.754485D+00 -0.382041D+01 -0.347046D+01
      2   0.231501D+02  0.768975D+01 -0.799650D+01  0.808072D+01  0.669688D+01
      3   0.123215D+02  0.314382D+01  0.155462D+01  0.513566D+01  0.296164D+01
               456           457           458           459           460 
      1   0.834528D+00  0.117101D+01  0.247135D+01 -0.997224D+00 -0.746359D+01
      2  -0.263537D+01 -0.503850D+01 -0.666244D+00  0.303813D+01  0.354622D+01
      3  -0.237807D+01  0.159504D+01 -0.148250D+01  0.128065D+01  0.895718D+01
               461           462           463           464           465 
      1   0.690153D+01 -0.514471D+01  0.710826D+01 -0.107607D+02  0.703796D+01
      2  -0.138671D+01  0.107005D+02  0.617084D+00  0.732106D+01 -0.867348D+01
      3  -0.988575D+01  0.776621D+01 -0.645250D+01  0.141944D+02 -0.115417D+02
               466           467           468           469           470 
      1  -0.407510D+01  0.641710D+01 -0.520685D+01 -0.731118D+00  0.399253D+00
      2   0.229676D+01 -0.336701D+01  0.948891D+01  0.506651D+01  0.611166D+00
      3   0.332034D+01 -0.766666D+01  0.653678D+01 -0.221456D+01 -0.243733D+01
               471           472           473           474           475 
      1  -0.692466D+00  0.472728D+00  0.245643D+01 -0.318879D+01 -0.166864D+01
      2   0.301911D+01  0.483673D+01  0.167766D+02  0.176361D+02  0.855401D+01
      3   0.478999D-01 -0.105753D+02 -0.299904D+02 -0.169193D+02 -0.416326D+01
               476           477           478           479           480 
      1   0.111463D+01 -0.278390D+01 -0.585472D+01  0.366550D+01 -0.263176D+01
      2   0.154169D+02  0.182465D+02  0.178381D+01 -0.353561D+01  0.100937D+02
      3  -0.185434D+02 -0.142578D+02  0.213853D+02 -0.150842D+02  0.782126D+01
               481           482           483           484           485 
      1   0.650122D+01 -0.466799D+01  0.198972D+01 -0.452525D+01  0.266204D+01
      2  -0.836790D+01  0.468191D+01 -0.815975D+01  0.102621D+02 -0.135511D+01
      3  -0.225116D+02  0.174371D+02 -0.104662D+02  0.877315D+01 -0.884414D+01
               486           487           488           489           490 
      1  -0.235994D+01  0.322759D+01  0.225406D+01 -0.370589D+01  0.341161D+01
      2   0.789706D+01 -0.111561D+02 -0.840376D+01  0.124541D+02 -0.851207D+01
      3   0.568247D+01  0.236157D+01 -0.504717D+01  0.529544D+01 -0.530174D+01
               491           492           493           494           495 
      1   0.216563D+01 -0.263331D+01 -0.322406D+01 -0.592333D+00  0.102462D+02
      2  -0.675771D+01  0.486652D+01  0.106845D+02  0.518096D+01 -0.342083D+02
      3  -0.594883D+01  0.455932D+01  0.503758D+01  0.771089D+01 -0.179316D+01
               496           497           498           499           500 
      1  -0.326147D+00 -0.426477D+01 -0.220482D+01 -0.460310D+01 -0.179119D+01
      2   0.567838D+01  0.272264D+01  0.147116D+02  0.319375D+01  0.240348D+01
      3  -0.169390D+01 -0.108493D+02 -0.254485D+01 -0.345166D+01 -0.690321D+00
               501           502           503           504           505 
      1  -0.223789D+01  0.426836D+00 -0.374803D+00 -0.646469D+00  0.161282D+01
      2   0.479685D+01  0.106738D+02  0.339737D+01  0.395136D+01 -0.582632D+01
      3  -0.185854D-01 -0.509807D+01 -0.215928D+01 -0.232205D+01  0.209498D+01
               506           507           508           509           510 
      1   0.269578D+01  0.137139D+01  0.957301D+00  0.556453D+01  0.312258D+01
      2  -0.431749D+01 -0.113504D+02 -0.470129D+00 -0.104307D+02 -0.165756D+02
      3   0.340639D+01  0.353270D+01  0.257832D+01  0.102231D+02  0.101405D+02
               511           512           513           514           515 
      1  -0.175551D+01  0.546703D+01  0.599171D+01  0.177505D+01 -0.179530D-01
      2  -0.215497D+01 -0.120796D+02 -0.324209D+02 -0.148686D+02  0.723746D+01
      3   0.365862D+00  0.849789D+01  0.134598D+02 -0.126101D+02  0.690546D+01
               516           517           518           519           520 
      1   0.704012D+01  0.856910D-01  0.965840D+00 -0.133352D+01  0.313644D+01
      2  -0.174825D+02  0.175745D+01 -0.678232D+01  0.535191D+01 -0.667164D+01
      3  -0.111672D+02  0.335972D+01 -0.637067D+01  0.733777D+01 -0.568244D+01
               521           522           523           524           525 
      1   0.511351D-01  0.782196D+01  0.624668D-01 -0.573581D+01 -0.252993D+01
      2   0.105252D+02 -0.235411D+02  0.336718D+01  0.133932D+01  0.540888D+01
      3   0.774269D+01 -0.133145D+02 -0.354835D+01 -0.148498D+02  0.159640D+01
               526           527           528           529           530 
      1  -0.233321D+01 -0.390672D+01 -0.420221D+01 -0.129518D+01  0.634826D+00
      2  -0.616470D+01 -0.536074D+01  0.810828D+01 -0.633524D+01  0.297218D+01
      3  -0.983275D+01 -0.200099D+02  0.644059D+01 -0.136400D+01  0.591419D+01
               531           532           533           534           535 
      1  -0.597738D+00  0.910515D+00  0.338172D+00  0.185648D+01 -0.229150D+01
      2  -0.291273D+01  0.137419D+01 -0.223264D+01  0.640387D+01 -0.276448D+01
      3  -0.407859D+01  0.492536D+01 -0.119025D+02  0.159733D+01 -0.127499D+02
               536           537           538           539           540 
      1   0.106451D+01 -0.264896D+01 -0.195162D+01  0.191355D+01  0.105276D+01
      2   0.303451D+01 -0.369379D+01  0.642662D+01 -0.318832D+01  0.308878D+01
      3   0.262680D+02 -0.235662D+01  0.380779D+01 -0.287152D+01  0.358283D+01
               541           542           543           544           545 
      1   0.597249D+00  0.295582D+00 -0.396640D+01  0.797643D+00  0.242218D+01
      2   0.354546D-01  0.129113D+01  0.412592D+01 -0.429786D+01 -0.248743D+00
      3   0.351431D+01 -0.775909D+01 -0.141603D+01 -0.214654D+00 -0.108227D+02
               546           547           548           549           550 
      1  -0.367486D+01 -0.128835D+01 -0.162681D+01 -0.157544D+01  0.584685D+01
      2   0.315940D+01 -0.145837D+01  0.227940D+01  0.191202D+01  0.220952D+01
      3   0.930377D-01 -0.568306D+00  0.197371D+01 -0.192348D+01 -0.209593D+02
               551           552           553           554           555 
      1  -0.484365D+01  0.761486D+01 -0.460756D+01  0.683322D+01 -0.534722D+01
      2   0.638853D+00 -0.240156D+01  0.158718D+01 -0.221207D+01  0.554583D+00
      3   0.188246D+02 -0.832875D+01  0.206935D+02 -0.186384D+02  0.747749D+01
               556           557           558           559           560 
      1   0.561253D+01 -0.485102D+01  0.639281D+01 -0.346073D+01  0.680927D+00
      2  -0.343662D+01  0.265951D+01 -0.243911D+01  0.489510D+01 -0.248091D+01
      3  -0.145801D+02  0.147570D+02 -0.105584D+02 -0.599245D+01  0.582784D+01
               561           562           563           564           565 
      1   0.799644D+01  0.479587D-01 -0.245390D+01 -0.148856D+00  0.531338D+01
      2  -0.751263D+01 -0.485575D+00  0.259509D+01  0.860053D+00 -0.964718D+01
      3   0.702110D+01  0.392895D+01 -0.734801D+00 -0.227481D+01  0.104407D+02
               566           567 
      1  -0.182758D+01 -0.231878D+02
      2   0.720259D+01  0.210717D+02
      3  -0.863950D+01 -0.146452D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103332D+03 -0.139762D+02  0.277938D+02 -0.121673D+02  0.285572D+02
      2   0.613128D+02  0.166906D+02 -0.881737D+01  0.696135D+01 -0.181002D+02
      3   0.420191D+02 -0.271444D+01 -0.189765D+02  0.520594D+01 -0.104570D+02
      4  -0.994010D+01  0.125981D+02  0.510991D+01  0.214155D+02 -0.113361D+02
      5   0.396389D+02  0.667918D+01  0.121804D+02  0.118452D+00 -0.294206D+01
      6  -0.233584D+00 -0.507501D+01 -0.211635D+01 -0.456685D+01  0.308223D+01
                 6             7             8             9            10 
      1   0.101565D+02 -0.341752D+01  0.495712D+01  0.232997D+02 -0.843993D+01
      2   0.468902D+01  0.958168D+01  0.686826D+01 -0.840168D+01  0.836335D+01
      3  -0.148456D+02 -0.616416D+01 -0.118254D+02 -0.148980D+02  0.765790D-01
      4   0.227245D+01 -0.620799D+01 -0.539337D+01  0.305408D+02  0.108082D+02
      5   0.316540D+02  0.253721D+02  0.319164D+02 -0.676459D+01 -0.120058D+01
      6  -0.648090D-01  0.342788D+01  0.305722D+01 -0.118211D+02  0.248581D+01
                11            12            13            14            15 
      1   0.833533D+01 -0.596695D+01  0.158316D+02 -0.401758D+02  0.106501D+02
      2  -0.101160D+01  0.283105D+01 -0.240708D+01  0.230688D+02 -0.855177D+01
      3  -0.732373D+01  0.313590D+01 -0.134245D+02  0.171070D+02 -0.209835D+01
      4  -0.296273D+02  0.777186D+01 -0.498478D+02  0.426437D+01 -0.211728D+02
      5   0.121763D+02 -0.196777D+02  0.153681D+02 -0.190063D+02 -0.431549D+02
      6   0.276200D+01 -0.204344D+01 -0.161973D+01 -0.108974D+01 -0.755369D+01
                16            17            18            19            20 
      1   0.416011D+01  0.980137D+01 -0.312466D+02  0.835021D+02  0.537607D+02
      2  -0.818975D+01 -0.898714D+01  0.219756D+02 -0.528614D+02 -0.421946D+02
      3   0.402964D+01 -0.814227D+00  0.927108D+01 -0.306407D+02 -0.115661D+02
      4   0.761642D+01 -0.102142D+02 -0.295689D+02  0.429397D+02  0.773095D+02
      5  -0.497153D+02 -0.332047D+02  0.673673D+01 -0.534574D+01  0.252822D+01
      6  -0.652079D+01 -0.629799D+01  0.998894D+00  0.216628D+01 -0.564597D+01
                21            22            23            24            25 
      1   0.223586D+01  0.205966D+02  0.282768D+02 -0.239099D+01 -0.591829D+01
      2  -0.145666D+01 -0.863376D+01 -0.880927D+01  0.256275D+01  0.337588D+01
      3  -0.779196D+00 -0.119629D+02 -0.194675D+02 -0.171759D+00  0.254241D+01
      4   0.702088D+01  0.343265D+02  0.813664D+02  0.123577D+02  0.538393D+00
      5   0.139566D+02  0.692146D+00  0.995973D+01  0.160148D+02  0.288986D+02
      6  -0.481359D+00  0.434898D+01 -0.180399D+01  0.772806D+01 -0.175657D+01
                26            27            28            29            30 
      1   0.449929D+00  0.168584D+02 -0.266097D+02  0.196267D+02  0.631325D+00
      2  -0.390333D+00 -0.177400D+02  0.568332D+01 -0.195005D+02 -0.226803D+01
      3  -0.595968D-01  0.881639D+00  0.209263D+02 -0.126248D+00  0.163671D+01
      4   0.113124D+02  0.110912D+02 -0.845119D+01  0.319799D+02 -0.108207D+00
      5   0.155880D+02  0.613550D+01 -0.284620D+01 -0.389092D+01 -0.144369D+02
      6   0.723320D+01  0.122849D+01 -0.181297D+02 -0.797867D+01 -0.883997D+00
                31            32            33            34            35 
      1   0.454746D+02  0.469233D+02  0.288698D+00  0.859539D+01 -0.338734D+01
      2  -0.452473D+02 -0.474302D+02  0.116337D+01 -0.108485D+02 -0.248964D+01
      3  -0.227327D+00  0.506851D+00 -0.145207D+01  0.225312D+01  0.587698D+01
      4   0.197415D+02  0.278752D+02  0.177641D+01 -0.132389D+02  0.146783D+01
      5  -0.123879D+02 -0.200308D+01  0.199290D+01  0.155698D+02  0.169165D+02
      6  -0.717423D+01 -0.912794D+01 -0.631113D+01  0.469397D+01  0.312036D+01
                36            37            38            39            40 
      1   0.374071D+01 -0.311035D+02  0.973520D+01 -0.125144D+02  0.620113D+02
      2  -0.116572D+02  0.419799D+02  0.380401D+01  0.122142D+02 -0.277747D+02
      3   0.791646D+01 -0.108763D+02 -0.135392D+02  0.300205D+00 -0.342367D+02
      4   0.150550D+02  0.216047D+02  0.136775D+02  0.134957D+02  0.374306D+02
      5   0.508595D+01 -0.428373D+01  0.216123D+02 -0.275595D+02  0.275938D+02
      6  -0.413177D+01  0.109910D+02  0.792790D+01 -0.708871D+01  0.591541D+01
                41            42            43            44            45 
      1   0.119661D+02  0.273457D+02 -0.129731D+02  0.308056D+02 -0.424396D+02
      2  -0.211242D+01 -0.226365D+02  0.121415D+02 -0.264679D+02  0.306738D+02
      3  -0.985370D+01 -0.470923D+01  0.831620D+00 -0.433768D+01  0.117659D+02
      4   0.144316D+01 -0.117178D+02  0.388413D+02  0.502511D+01 -0.204521D+02
      5  -0.142651D+02  0.174231D+02 -0.485496D+02 -0.162295D+02  0.209211D+02
      6  -0.587152D+01  0.385932D+01 -0.191179D+02 -0.616755D+01  0.148540D+02
                46            47            48            49            50 
      1   0.715714D+01 -0.202381D+02  0.217639D+02 -0.270072D+02 -0.392413D+02
      2  -0.142743D+02 -0.701435D+01 -0.258423D+01  0.109641D+01  0.176994D+02
      3   0.711719D+01  0.272524D+02 -0.191797D+02  0.259108D+02  0.215420D+02
      4  -0.368922D+02 -0.485389D+02  0.482615D+01 -0.619802D+02 -0.175296D+02
      5   0.127407D+02  0.457144D+01  0.182408D+02  0.962285D+01  0.260539D+02
      6   0.139735D+02  0.895248D+01  0.152148D+02  0.154490D+02  0.104077D+02
                51            52            53            54            55 
      1  -0.418851D+01  0.185286D+00 -0.206174D+02  0.393882D+02 -0.287614D+02
      2   0.395621D+01  0.808831D+01  0.132390D+02 -0.265749D+02 -0.382601D+01
      3   0.232304D+00 -0.827360D+01  0.737846D+01 -0.128133D+02  0.325874D+02
      4   0.199063D+02 -0.208459D+02 -0.585530D+01  0.995491D+01 -0.538347D+02
      5  -0.602641D+01  0.376703D+02  0.543481D+01 -0.285874D+02  0.106819D+02
      6  -0.786961D+01  0.204532D+02 -0.331350D+01 -0.676739D+01 -0.738251D+01
                56            57            58            59            60 
      1  -0.612012D+02  0.991537D+01 -0.882283D+02  0.840600D+01 -0.286135D+02
      2   0.374653D+02 -0.176923D+02  0.515114D+02 -0.134165D+02  0.151551D+02
      3   0.237359D+02  0.777696D+01  0.367169D+02  0.501053D+01  0.134584D+02
      4  -0.819850D+01 -0.145095D+02  0.323308D+01  0.113516D+02  0.271105D+02
      5  -0.231547D+02  0.411631D+02 -0.274204D+02  0.305196D+02  0.237813D+02
      6  -0.146700D+01  0.369487D+01  0.163838D+01  0.308853D+01  0.124567D+02
                61            62            63            64            65 
      1   0.288469D+02 -0.227484D+02  0.501551D+02  0.374303D+02  0.298397D+01
      2  -0.258898D+02  0.149213D+02 -0.202940D+02 -0.210587D+02  0.482234D+00
      3  -0.295702D+01  0.782705D+01 -0.298611D+02 -0.163716D+02 -0.346620D+01
      4  -0.545345D+01  0.275057D+02  0.328470D+02  0.177986D+02 -0.330330D+02
      5   0.526143D+02  0.241419D+02 -0.429700D+01  0.145537D+02 -0.388270D+01
      6   0.863172D+01  0.953762D+01  0.409172D+01  0.250792D+02  0.511014D+01
                66            67            68            69            70 
      1   0.441022D+01  0.644538D+00 -0.157056D+02 -0.112001D+01  0.421815D+01
      2  -0.248333D+01 -0.262700D+01  0.185285D+02  0.189661D+00 -0.374901D+01
      3  -0.192689D+01  0.198246D+01 -0.282290D+01  0.930347D+00 -0.469146D+00
      4  -0.448448D+01  0.271869D+02  0.228661D+02  0.257898D+01  0.137056D+01
      5   0.167579D+02  0.978026D+01  0.382136D+01  0.450326D+01 -0.496080D+01
      6  -0.205897D+00  0.623202D+01  0.162321D+01  0.584396D+01  0.194783D+01
                71            72            73            74            75 
      1   0.243819D+00 -0.301388D+01 -0.788246D+02  0.645966D+00 -0.901787D-02
      2  -0.154838D+00  0.131127D+01  0.306701D+02 -0.483215D+01 -0.946848D-03
      3  -0.889811D-01  0.170261D+01  0.481545D+02  0.418619D+01  0.996472D-02
      4  -0.102999D+01  0.370268D+01 -0.789509D+01 -0.303088D+02  0.355217D-02
      5   0.164657D+01  0.119998D+01  0.273815D-01  0.351002D-02 -0.248942D+02
      6   0.647465D+01  0.118982D+01  0.194634D-01  0.978801D-02 -0.470275D+01
                76            77            78            79            80 
      1  -0.890599D+01 -0.139621D+02  0.421679D-02  0.310792D-01  0.897714D-02
      2   0.130496D+02  0.908782D+01 -0.396293D-02 -0.227400D-01 -0.715866D-02
      3  -0.414364D+01  0.487431D+01 -0.253861D-03 -0.833923D-02 -0.181848D-02
      4  -0.613134D+02  0.102612D+02  0.858008D-02  0.424283D-01  0.330465D-01
      5   0.368371D-01  0.119309D-01  0.260838D+01  0.350407D+02  0.189694D+01
      6  -0.328146D-01 -0.313545D-02  0.181312D+01  0.145320D+02  0.782078D+01
                81            82            83            84            85 
      1  -0.265998D+02 -0.160263D+02 -0.658302D+02 -0.126732D+02  0.114738D+02
      2  -0.219177D+01  0.248074D+02  0.592863D+02  0.836085D+01 -0.847876D+01
      3   0.287916D+02 -0.878108D+01  0.654392D+01  0.431234D+01 -0.299499D+01
      4  -0.555132D+00 -0.459912D+02 -0.850765D+01 -0.342345D+01  0.350723D+02
      5   0.152558D-01  0.436650D+01 -0.169551D+01  0.229678D+02 -0.787771D+01
      6   0.202191D-02  0.303490D+02  0.341259D+01  0.117248D+02 -0.168312D+02
                86            87            88            89            90 
      1  -0.856332D+01 -0.112784D+01 -0.271090D+01  0.840950D+00 -0.763796D+01
      2   0.115682D+02  0.111415D-02  0.899260D+00 -0.261493D+01  0.419100D+01
      3  -0.300492D+01  0.112672D+01  0.181164D+01  0.177398D+01  0.344697D+01
      4   0.215033D+01  0.100964D+00  0.384525D+01  0.301353D+01 -0.157151D+01
      5  -0.854450D+00 -0.172500D+01 -0.619178D+01  0.219233D+01  0.172826D+00
      6   0.297401D+01  0.407211D+01 -0.450409D+01  0.827598D+01  0.210006D+01
                91            92            93            94            95 
      1  -0.181059D+02  0.232974D+02  0.590865D+01 -0.932751D+02 -0.949468D+02
      2  -0.351699D+01 -0.232009D+02 -0.342878D+01  0.829356D+02  0.701428D+02
      3   0.216229D+02 -0.964890D-01 -0.247987D+01  0.103395D+02  0.248040D+02
      4   0.324204D+02 -0.335397D+02 -0.134679D+01 -0.104042D+03 -0.149358D+03
      5  -0.775036D+00 -0.170008D+01 -0.252088D+02 -0.126694D+02 -0.136423D+02
      6  -0.200263D+02 -0.857545D-01 -0.848828D+01  0.636327D+01  0.395195D+01
                96            97            98            99           100 
      1  -0.980219D+01 -0.209348D+02 -0.138651D+02 -0.258640D+02 -0.214798D+02
      2   0.793009D+01  0.157564D+02  0.715626D+01  0.128496D+02  0.223181D+02
      3   0.187210D+01  0.517835D+01  0.670889D+01  0.130144D+02 -0.838323D+00
      4  -0.182271D+02 -0.154142D+02 -0.187380D+02 -0.276939D+02 -0.279281D+02
      5  -0.225339D+02 -0.721142D+01 -0.253840D+02 -0.107530D+02 -0.186299D+00
      6  -0.891280D+00  0.180581D+01  0.133191D+02  0.258034D+01  0.136622D+01
               101           102           103           104           105 
      1  -0.200589D+02  0.183908D+00  0.247327D+02  0.486536D+02  0.101509D+02
      2   0.133903D+02 -0.287410D+01 -0.448456D+02 -0.413002D+02 -0.604250D+01
      3   0.666864D+01  0.269019D+01  0.201130D+02 -0.735335D+01 -0.410837D+01
      4  -0.316533D+02 -0.440896D+01  0.624092D+02  0.181777D+02  0.980007D+00
      5  -0.186587D+01 -0.151078D+02  0.108151D+02  0.926599D+00 -0.362620D+01
      6  -0.308355D+01  0.101067D+02 -0.129207D+02  0.619208D+00 -0.818012D+01
               106           107           108           109           110 
      1   0.122900D+02  0.220938D+01 -0.426366D+01  0.226740D+02  0.102987D+02
      2  -0.138157D+02  0.286447D+01 -0.120399D+01 -0.122894D+02 -0.174227D+02
      3   0.152570D+01 -0.507385D+01  0.546766D+01 -0.103846D+02  0.712395D+01
      4   0.723034D+01 -0.110073D+02  0.151858D+02 -0.109109D+02  0.369656D+02
      5  -0.103100D+02  0.101401D+02 -0.123700D+01  0.145235D+02 -0.308884D+01
      6   0.113477D+02 -0.143910D+02  0.284256D-02 -0.117376D+02  0.285882D+01
               111           112           113           114           115 
      1   0.111716D+02 -0.417271D+01 -0.192529D+02  0.281818D+01  0.111114D+02
      2  -0.567666D+01  0.606604D+00  0.308773D+02 -0.778850D+01 -0.869818D+01
      3  -0.549498D+01  0.356610D+01 -0.116244D+02  0.497032D+01 -0.241320D+01
      4  -0.851331D+01  0.744979D+01 -0.385647D+02  0.100937D+02 -0.848516D+01
      5   0.117401D+02 -0.545945D+01  0.908506D+01 -0.539577D+01  0.166343D+02
      6  -0.841766D+01  0.476171D+01 -0.117526D+02  0.108440D+02 -0.136548D+02
               116           117           118           119           120 
      1   0.165813D+02  0.298066D+00  0.696888D+01 -0.300880D+02  0.661371D+01
      2  -0.213313D+02  0.110940D+01 -0.318259D+02  0.459848D+01 -0.203557D+02
      3   0.475002D+01 -0.140746D+01  0.248570D+02  0.254896D+02  0.137420D+02
      4   0.330470D+02 -0.180157D+02 -0.425386D+02 -0.425244D+02 -0.811041D+01
      5  -0.135474D+02  0.290102D+02  0.276525D+00 -0.157132D+02  0.209381D+02
      6   0.185678D+02 -0.277740D+02 -0.366839D+00 -0.147309D+02  0.175577D+02
               121           122           123           124           125 
      1  -0.240780D+02 -0.219333D+02 -0.225280D+02  0.769539D+01 -0.214161D+02
      2   0.556862D+01  0.959096D+01  0.226369D+02 -0.176238D+02  0.274558D+02
      3   0.185094D+02  0.123424D+02 -0.108837D+00  0.992838D+01 -0.603972D+01
      4  -0.373449D+02 -0.102149D+02  0.274602D+01 -0.819550D+01  0.339019D+01
      5  -0.159470D+02  0.867413D+01 -0.406650D+01  0.202391D+02 -0.250899D+01
      6  -0.114538D+02  0.151579D+02 -0.323547D+00  0.177941D+02 -0.336917D+01
               126           127           128           129           130 
      1   0.319212D+02  0.203457D+02  0.626300D+02 -0.718804D+01  0.957949D+02
      2  -0.994191D+01  0.181678D+01 -0.379166D+02  0.126621D+02 -0.595151D+02
      3  -0.219792D+02 -0.221625D+02 -0.247134D+02 -0.547408D+01 -0.362797D+02
      4   0.127111D+02  0.636898D+02  0.677746D+00  0.221655D+02 -0.223451D+02
      5  -0.173396D+02 -0.578971D+01  0.274673D+02 -0.314778D+02  0.328740D+02
      6  -0.224514D+02  0.100841D+02  0.115524D+01 -0.265933D+01 -0.629596D+01
               131           132           133           134           135 
      1  -0.155242D+02  0.403918D+02 -0.119876D+02  0.310456D+02 -0.409389D+02
      2   0.942062D+01 -0.245974D+02  0.146574D+02 -0.187044D+02  0.941652D+01
      3   0.610359D+01 -0.157944D+02 -0.266982D+01 -0.123412D+02  0.315224D+02
      4  -0.222711D+02 -0.341099D+02  0.154882D+02 -0.323897D+02 -0.415747D+02
      5  -0.383009D+02 -0.270833D+02 -0.456231D+02 -0.327947D+02  0.104978D+02
      6  -0.130448D+02 -0.182819D+02 -0.912105D+01 -0.175420D+02 -0.315568D+01
               136           137           138           139           140 
      1   0.352697D+02  0.347633D+02 -0.614273D+01  0.448345D+02  0.104592D+00
      2  -0.875268D+01 -0.248506D+02  0.127444D+02 -0.302080D+02  0.135936D+02
      3  -0.265170D+02 -0.991262D+01 -0.660168D+01 -0.146265D+02 -0.136981D+02
      4   0.397143D+02 -0.457508D+01  0.180286D+02 -0.148058D+02 -0.736933D+01
      5   0.741921D+00  0.307320D+02 -0.291757D+02  0.327305D+02 -0.399739D+02
      6   0.162678D+02 -0.497936D+01  0.557870D+01 -0.119425D+02 -0.909829D+01
               141           142           143           144           145 
      1   0.314552D+02 -0.530135D+01  0.242046D+02 -0.283339D+02  0.374441D+02
      2  -0.111703D+02  0.145354D+02 -0.552870D+01  0.475868D+01 -0.210733D+02
      3  -0.202849D+02 -0.923405D+01 -0.186759D+02  0.235752D+02 -0.163708D+02
      4  -0.360338D+02  0.113974D+02 -0.244373D+02 -0.206119D+02  0.178288D+02
      5  -0.102509D+02 -0.308891D+02 -0.138799D+02  0.104160D+01 -0.145791D+02
      6  -0.289320D+02  0.165094D+01 -0.198558D+02 -0.103755D+02 -0.251028D+02
               146           147           148           149           150 
      1   0.299765D+01 -0.444877D+01  0.606704D+00 -0.156968D+02  0.113648D+01
      2   0.476966D+00  0.248820D+01 -0.262343D+01  0.185084D+02 -0.194478D+00
      3  -0.347461D+01  0.196057D+01  0.201672D+01 -0.281152D+01 -0.942006D+00
      4  -0.330228D+02  0.448659D+01  0.271800D+02  0.228199D+02 -0.258998D+01
      5   0.387057D+01  0.167628D+02 -0.977188D+01 -0.382803D+01  0.450320D+01
      6  -0.508379D+01 -0.197427D+00 -0.618877D+01 -0.165328D+01  0.584457D+01
               151           152           153           154           155 
      1  -0.419568D+01 -0.221192D+00 -0.301836D+01 -0.267246D+02  0.195311D+02
      2   0.373241D+01  0.149230D+00  0.130599D+01  0.576291D+01 -0.194405D+02
      3   0.463268D+00  0.719623D-01  0.171237D+01  0.209616D+02 -0.905076D-01
      4  -0.137504D+01  0.983951D+00  0.370080D+01 -0.855124D+01  0.319295D+02
      5  -0.495195D+01  0.164490D+01 -0.120583D+01  0.286722D+01  0.393189D+01
      6   0.195396D+01  0.646198D+01 -0.121108D+01  0.180874D+02  0.795460D+01
               156           157           158           159           160 
      1  -0.584434D+00  0.454203D+02  0.469695D+02 -0.285842D+00 -0.858678D+01
      2   0.224867D+01 -0.452180D+02 -0.474778D+02 -0.116535D+01  0.108254D+02
      3  -0.166424D+01 -0.202334D+00  0.508278D+00  0.145120D+01 -0.223867D+01
      4   0.133211D+00  0.197931D+02  0.279915D+02 -0.176038D+01  0.133350D+02
      5  -0.144637D+02  0.123661D+02  0.198878D+01  0.202215D+01  0.155122D+02
      6  -0.885179D+00  0.718759D+01  0.913835D+01 -0.630189D+01  0.472298D+01
               161           162           163           164           165 
      1   0.344549D+01  0.369093D+01 -0.311298D+02  0.975336D+01  0.125544D+02
      2   0.245583D+01 -0.116104D+02  0.419831D+02  0.380656D+01 -0.122310D+02
      3  -0.590132D+01  0.791944D+01 -0.108533D+02 -0.135599D+02 -0.323385D+00
      4  -0.141816D+01  0.150370D+02  0.216114D+02  0.136887D+02 -0.134645D+02
      5   0.168986D+02 -0.507745D+01  0.435914D+01 -0.215790D+02 -0.274697D+02
      6   0.312580D+01  0.413411D+01 -0.109758D+02 -0.791890D+01 -0.705036D+01
               166           167           168           169           170 
      1   0.620056D+02  0.119435D+02 -0.273344D+02  0.130615D+02 -0.307912D+02
      2  -0.277388D+02 -0.208206D+01  0.226143D+02 -0.121645D+02  0.264599D+02
      3  -0.342668D+02 -0.986141D+01  0.472010D+01 -0.897006D+00  0.433128D+01
      4   0.374142D+02  0.143559D+01  0.116962D+02 -0.388667D+02 -0.508323D+01
      5  -0.275700D+02  0.142449D+02  0.173160D+02 -0.484429D+02 -0.163011D+02
      6  -0.592125D+01  0.587409D+01  0.382923D+01 -0.191167D+02 -0.621758D+01
               171           172           173           174           175 
      1  -0.423229D+02 -0.286544D+02 -0.613103D+02 -0.100564D+02 -0.883385D+02
      2   0.305751D+02 -0.392406D+01  0.375067D+02  0.177113D+02  0.515204D+02
      3   0.117478D+02  0.325785D+02  0.238037D+02 -0.765486D+01  0.368182D+02
      4  -0.205147D+02 -0.539118D+02 -0.826297D+01  0.144139D+02  0.319812D+01
      5  -0.210452D+02 -0.108415D+02  0.230619D+02  0.411037D+02  0.272670D+02
      6  -0.149162D+02  0.737169D+01  0.143912D+01  0.369352D+01 -0.166143D+01
               176           177           178           179           180 
      1   0.839782D+01  0.284840D+02 -0.290689D+02  0.226511D+02  0.500492D+02
      2  -0.133978D+02 -0.150378D+02  0.259609D+02 -0.148373D+02 -0.201967D+02
      3   0.499997D+01 -0.134462D+02  0.310799D+01 -0.781379D+01 -0.298526D+02
      4   0.113423D+02 -0.270768D+02  0.533159D+01 -0.274791D+02  0.329326D+02
      5  -0.304841D+02  0.239624D+02  0.525461D+02  0.242571D+02  0.446233D+01
      6  -0.308073D+01  0.124724D+02  0.863450D+01  0.954776D+01 -0.406987D+01
               181           182           183           184           185 
      1  -0.847211D+01  0.847939D+01  0.604035D+01  0.159936D+02 -0.401495D+02
      2   0.836342D+01 -0.112047D+01 -0.287664D+01 -0.250233D+01  0.230277D+02
      3   0.108697D+00 -0.735892D+01 -0.316371D+01 -0.134913D+02  0.171218D+02
      4   0.109163D+02 -0.295488D+02 -0.773160D+01 -0.498485D+02  0.428141D+01
      5   0.129641D+01 -0.121307D+02 -0.196235D+02 -0.152861D+02  0.189171D+02
      6  -0.247156D+01 -0.277104D+01 -0.203938D+01  0.160029D+01  0.108883D+01
               186           187           188           189           190 
      1  -0.105645D+02 -0.404653D+01 -0.978555D+01 -0.311698D+02  0.833642D+02
      2   0.852002D+01  0.814249D+01  0.901588D+01  0.219467D+02 -0.527745D+02
      3   0.204447D+01 -0.409596D+01  0.769676D+00  0.922307D+01 -0.305897D+02
      4   0.210947D+02 -0.759843D+01  0.101012D+02 -0.295927D+02  0.428584D+02
      5  -0.432040D+02 -0.496515D+02 -0.332375D+02 -0.684547D+01  0.538350D+01
      6  -0.756260D+01 -0.652657D+01 -0.629908D+01 -0.102539D+01 -0.216037D+01
               191           192           193           194           195 
      1   0.536829D+02 -0.220394D+01  0.205357D+02  0.282260D+02  0.242947D+01
      2  -0.421594D+02  0.143768D+01 -0.859897D+01 -0.878175D+01 -0.259196D+01
      3  -0.115235D+02  0.766260D+00 -0.119367D+02 -0.194443D+02  0.162488D+00
      4   0.772957D+02 -0.697913D+01  0.342482D+02  0.813348D+02 -0.123265D+02
      5  -0.248865D+01  0.139272D+02 -0.615814D+00 -0.988632D+01  0.159904D+02
      6   0.563938D+01 -0.481113D+00 -0.438583D+01  0.178224D+01  0.773685D+01
               196           197           198           199           200 
      1   0.605512D+01 -0.274603D+00  0.167859D+02 -0.103108D+03 -0.139903D+02
      2  -0.350155D+01  0.233189D+00 -0.176733D+02  0.612763D+02  0.167589D+02
      3  -0.255358D+01  0.414139D-01  0.887401D+00  0.418321D+02 -0.276855D+01
      4  -0.356405D+00 -0.111215D+02  0.110198D+02 -0.997455D+01  0.126455D+02
      5   0.288087D+02  0.154987D+02 -0.606661D+01 -0.399938D+02 -0.691033D+01
      6  -0.174658D+01  0.724443D+01 -0.122319D+01  0.171428D+00  0.505322D+01
               201           202           203           204           205 
      1  -0.281392D+02 -0.121227D+02  0.286437D+02 -0.105072D+02  0.299947D+01
      2   0.896105D+01  0.700177D+01 -0.181331D+02 -0.456426D+01 -0.939975D+01
      3   0.191781D+02  0.512098D+01 -0.105106D+02  0.150715D+02  0.640027D+01
      4  -0.535681D+01  0.215203D+02 -0.111874D+02 -0.245426D+01  0.598590D+01
      5   0.123858D+02 -0.437161D+00  0.281160D+01  0.320222D+02  0.255477D+02
      6  -0.208389D+01  0.453559D+01 -0.310003D+01  0.202491D-01  0.345838D+01
               206           207           208           209           210 
      1  -0.519251D+01  0.235404D+02  0.682231D+01 -0.201951D+02 -0.214648D+02
      2  -0.678179D+01 -0.845613D+01 -0.140778D+02 -0.704305D+01  0.246663D+01
      3   0.119743D+02 -0.150842D+02  0.725549D+01  0.272382D+02  0.189982D+02
      4   0.528301D+01  0.308464D+02 -0.369588D+02 -0.485664D+02 -0.477838D+01
      5   0.321567D+02  0.623589D+01 -0.125259D+02 -0.457151D+01  0.179453D+02
      6   0.311653D+01  0.117404D+02 -0.139258D+02 -0.896903D+01  0.151083D+02
               211           212           213           214           215 
      1  -0.267850D+02 -0.392166D+02  0.407627D+01  0.838262D-01  0.205670D+02
      2   0.957792D+00  0.176713D+02 -0.393483D+01 -0.821362D+01 -0.132608D+02
      3   0.258272D+02  0.215453D+02 -0.141448D+00  0.812980D+01 -0.730624D+01
      4  -0.619797D+02 -0.176018D+02 -0.199919D+02  0.208600D+02  0.579544D+01
      5  -0.970403D+01 -0.261146D+02 -0.587352D+01  0.373164D+02  0.547718D+01
      6  -0.155035D+02 -0.104650D+02 -0.783570D+01  0.203404D+02 -0.329925D+01
               216           217           218           219           220 
      1   0.389262D+02  0.353105D+02  0.348559D+02  0.627718D+01  0.449131D+02
      2  -0.263739D+02 -0.873270D+01 -0.248358D+02 -0.127494D+02 -0.301748D+02
      3  -0.125523D+02 -0.265778D+02 -0.100201D+02  0.647221D+01 -0.147382D+02
      4   0.992316D+01  0.397359D+02 -0.470354D+01 -0.178943D+02 -0.149770D+02
      5   0.288655D+02 -0.659849D+00 -0.306210D+02 -0.291395D+02 -0.325909D+02
      6   0.693067D+01 -0.162469D+02  0.505724D+01  0.550400D+01  0.120457D+02
               221           222           223           224           225 
      1  -0.103709D+00 -0.313658D+02  0.550619D+01 -0.240705D+02 -0.282920D+02
      2   0.137172D+02  0.110407D+02 -0.146041D+02  0.537984D+01  0.473424D+01
      3  -0.136135D+02  0.203250D+02  0.909787D+01  0.186906D+02  0.235578D+02
      4  -0.729219D+01  0.360821D+02 -0.112166D+02  0.244925D+02 -0.207738D+02
      5   0.400696D+02 -0.104802D+02 -0.309178D+02 -0.141037D+02 -0.108922D+01
      6   0.904011D+01 -0.289331D+02  0.157943D+01 -0.198562D+02  0.104492D+02
               226           227           228           229           230 
      1   0.199323D+02  0.628070D+02  0.749537D+01  0.961037D+02 -0.154528D+02
      2   0.209351D+01 -0.379646D+02 -0.127943D+02 -0.596213D+02  0.936770D+01
      3  -0.220259D+02 -0.248424D+02  0.529889D+01 -0.364824D+02  0.608508D+01
      4   0.637949D+02  0.778103D+00 -0.220895D+02 -0.222046D+02 -0.222156D+02
      5   0.605545D+01 -0.274408D+02 -0.313461D+02 -0.328666D+02  0.381050D+02
      6  -0.998895D+01 -0.115438D+01 -0.269624D+01  0.625979D+01  0.130199D+02
               231           232           233           234           235 
      1  -0.404143D+02  0.122886D+02 -0.309955D+02 -0.408039D+02  0.709298D+01
      2   0.245517D+02 -0.147736D+02  0.186467D+02  0.933926D+01 -0.319337D+02
      3   0.158626D+02  0.248492D+01  0.123487D+02  0.314647D+02  0.248407D+02
      4   0.338926D+02 -0.153790D+02  0.322642D+02 -0.415672D+02 -0.424508D+02
      5  -0.270194D+02 -0.455141D+02 -0.328030D+02 -0.107936D+02 -0.358436D+00
      6  -0.182394D+02 -0.918282D+01 -0.175367D+02  0.314660D+01  0.311599D+00
               236           237           238           239           240 
      1  -0.300380D+02 -0.668007D+01 -0.240759D+02 -0.219220D+02  0.225209D+02
      2   0.453914D+01  0.203682D+02  0.554729D+01  0.953157D+01 -0.225967D+02
      3   0.254988D+02 -0.136881D+02  0.185286D+02  0.123904D+02  0.757826D-01
      4  -0.425680D+02  0.802920D+01 -0.373757D+02 -0.102754D+02 -0.274020D+01
      5   0.156915D+02  0.208889D+02  0.159497D+02 -0.865883D+01 -0.398976D+01
      6   0.147127D+02  0.174883D+02  0.114446D+02 -0.151426D+02 -0.244960D+00
               241           242           243           244           245 
      1  -0.778579D+01  0.213760D+02  0.318488D+02 -0.180605D+02  0.233913D+02
      2   0.176552D+02 -0.274238D+02 -0.979588D+01 -0.356849D+01 -0.232820D+02
      3  -0.986941D+01  0.604777D+01 -0.220529D+02  0.216290D+02 -0.109321D+00
      4   0.811031D+01 -0.338921D+01  0.127270D+02  0.324998D+02 -0.334162D+02
      5   0.202048D+02 -0.245869D+01  0.174328D+02  0.734094D+00  0.167938D+01
      6   0.177404D+02 -0.328695D+01  0.225286D+02  0.200573D+02  0.908283D-01
               246           247           248           249           250 
      1  -0.591639D+01 -0.931448D+02 -0.948816D+02  0.976961D+01  0.208981D+02
      2   0.343805D+01  0.828521D+02  0.701253D+02 -0.791653D+01 -0.157490D+02
      3   0.247833D+01  0.102927D+02  0.247563D+02 -0.185308D+01 -0.514903D+01
      4   0.134196D+01 -0.103960D+03 -0.149420D+03  0.182223D+02  0.154064D+02
      5  -0.251904D+02  0.126429D+02  0.136167D+02 -0.225348D+02 -0.719024D+01
      6  -0.849607D+01 -0.634785D+01 -0.391205D+01 -0.898537D+00  0.180856D+01
               251           252           253           254           255 
      1   0.138473D+02 -0.258467D+02 -0.214641D+02 -0.200816D+02 -0.175074D+00
      2  -0.715806D+01  0.128478D+02  0.223209D+02  0.134195D+02  0.287402D+01
      3  -0.668927D+01  0.129989D+02 -0.856814D+00  0.666212D+01 -0.269895D+01
      4   0.187151D+02 -0.277039D+02 -0.279464D+02 -0.316989D+02  0.440595D+01
      5  -0.253918D+02  0.107458D+02  0.193512D+00  0.186372D+01 -0.151189D+02
      6   0.133211D+02 -0.256942D+01 -0.136922D+01  0.309344D+01  0.101110D+02
               256           257           258           259           260 
      1   0.246860D+02  0.486784D+02 -0.101610D+02 -0.122813D+02 -0.221205D+01
      2  -0.448182D+02 -0.413516D+02  0.605409D+01  0.138252D+02 -0.287913D+01
      3   0.201322D+02 -0.732677D+01  0.410687D+01 -0.154391D+01  0.509119D+01
      4   0.624200D+02  0.182634D+02 -0.978328D+00 -0.724884D+01  0.110293D+02
      5  -0.108297D+02 -0.929401D+00 -0.362825D+01 -0.103226D+02  0.101481D+02
      6   0.129285D+02 -0.625755D+00 -0.817222D+01  0.113511D+02 -0.143920D+02
               261           262           263           264           265 
      1  -0.426965D+01  0.227153D+02  0.104004D+02 -0.111799D+02 -0.411132D+01
      2  -0.119468D+01 -0.123233D+02 -0.175612D+02  0.567921D+01  0.530485D+00
      3   0.546433D+01 -0.103920D+02  0.716075D+01  0.550074D+01  0.358084D+01
      4   0.151988D+02 -0.109089D+02  0.371905D+02  0.851751D+01  0.755417D+01
      5   0.120736D+01 -0.145334D+02  0.308657D+01  0.117483D+02  0.545868D+01
      6   0.101707D-01  0.117378D+02 -0.288252D+01 -0.842499D+01 -0.477342D+01
               266           267           268           269           270 
      1  -0.190112D+02 -0.281661D+01 -0.111049D+02 -0.165263D+02  0.315474D+00
      2   0.306147D+02  0.778301D+01  0.868359D+01  0.212798D+02  0.110109D+01
      3  -0.116035D+02 -0.496639D+01  0.242131D+01 -0.475351D+01 -0.141656D+01
      4  -0.382484D+02 -0.100952D+02  0.851502D+01 -0.329896D+02 -0.180271D+02
      5  -0.909787D+01 -0.539913D+01  0.166478D+02 -0.135588D+02 -0.290099D+02
      6   0.117182D+02  0.108442D+02 -0.136639D+02  0.185610D+02  0.277625D+02
               271           272           273           274           275 
      1  -0.160343D+02 -0.658875D+02  0.126627D+02  0.114813D+02 -0.860689D+01
      2   0.248455D+02  0.593447D+02 -0.836448D+01 -0.850428D+01  0.116130D+02
      3  -0.881120D+01  0.654274D+01 -0.429824D+01 -0.297706D+01 -0.300607D+01
      4  -0.460413D+02 -0.859388D+01  0.342345D+01  0.350764D+02  0.213745D+01
      5  -0.434691D+01  0.171306D+01  0.229682D+02  0.784825D+01  0.853382D+00
      6  -0.303464D+02 -0.341287D+01  0.117397D+02  0.168497D+02 -0.297047D+01
               276           277           278           279           280 
      1   0.112911D+01  0.271216D+01 -0.865931D+00 -0.763845D+01  0.325045D+02
      2  -0.188482D-02 -0.898963D+00  0.262639D+01  0.419756D+01 -0.242122D+02
      3  -0.112723D+01 -0.181320D+01 -0.176046D+01  0.344089D+01 -0.829229D+01
      4  -0.103071D+00 -0.388680D+01 -0.300972D+01 -0.157623D+01 -0.147343D+02
      5  -0.172384D+01 -0.617541D+01  0.219382D+01 -0.169378D+00  0.209942D+02
      6   0.407235D+01 -0.450251D+01  0.828315D+01 -0.209133D+01 -0.111173D+02
               281           282           283           284           285 
      1   0.139026D+02  0.825870D+01  0.424633D+01 -0.525564D+01  0.552621D+01
      2  -0.184221D+02 -0.546495D+01 -0.568183D+01  0.992350D+01 -0.767351D+01
      3   0.451943D+01 -0.279375D+01  0.143550D+01 -0.466785D+01  0.214730D+01
      4   0.373953D+02 -0.168028D+02  0.963157D+01 -0.189817D+02  0.108070D+02
      5  -0.992460D+01  0.195581D+02 -0.169258D+01  0.109286D+02 -0.180777D+01
      6   0.790443D+01 -0.109916D+02  0.325353D+01 -0.919316D+01  0.765299D+01
               286           287           288           289           290 
      1   0.115590D+02  0.102140D+02  0.122501D+01 -0.205746D+02 -0.230406D+02
      2  -0.144294D+02 -0.952979D+01 -0.918618D+01  0.222801D+02  0.241413D+02
      3   0.287039D+01 -0.684160D+00  0.796117D+01 -0.170552D+01 -0.110071D+01
      4  -0.100838D+02  0.214772D+02 -0.183303D+02  0.577331D+01  0.882032D+01
      5   0.217320D+02 -0.124012D+02  0.325197D+02 -0.676552D+00 -0.974724D+00
      6  -0.129643D+02  0.142876D+02 -0.251664D+02 -0.578070D+01 -0.481001D+01
               291           292           293           294           295 
      1   0.565663D+01 -0.122756D+02 -0.500436D+02  0.857662D+01  0.330645D+01
      2  -0.371962D+01  0.198304D+02  0.653708D+02 -0.837060D+01 -0.253053D+01
      3  -0.193701D+01 -0.755478D+01 -0.153272D+02 -0.206014D+00 -0.775925D+00
      4  -0.209217D+01 -0.516708D+00 -0.179242D+02  0.366671D+01 -0.849268D+00
      5   0.135652D+00 -0.269544D+00  0.329670D+01 -0.198012D+01 -0.125470D+01
      6   0.689208D+01 -0.384434D+01 -0.123492D+02  0.129856D+02  0.627854D+01
               296           297           298           299           300 
      1   0.839094D+01 -0.153970D+02 -0.205849D+02 -0.230392D+02 -0.565376D+01
      2  -0.616333D+01  0.126372D+02  0.222858D+02  0.241399D+02  0.371701D+01
      3  -0.222761D+01  0.275984D+01 -0.170087D+01 -0.110071D+01  0.193675D+01
      4   0.832544D+00 -0.224930D+01  0.578671D+01  0.881774D+01  0.208564D+01
      5  -0.627858D+01  0.307584D+01  0.682721D+00  0.966031D+00  0.134585D+00
      6   0.170875D+02 -0.976020D+01  0.578079D+01  0.480827D+01  0.689549D+01
               301           302           303           304           305 
      1  -0.122691D+02 -0.500169D+02 -0.858199D+01 -0.330860D+01 -0.839823D+01
      2   0.198238D+02  0.653281D+02  0.837178D+01  0.253041D+01  0.616898D+01
      3  -0.755476D+01 -0.153112D+02  0.210212D+00  0.778189D+00  0.222924D+01
      4  -0.511115D+00 -0.179017D+02 -0.366858D+01  0.849408D+00 -0.838162D+00
      5   0.270196D+00 -0.329721D+01 -0.196677D+01 -0.125604D+01 -0.627175D+01
      6   0.384127D+01  0.123581D+02  0.129925D+02  0.628398D+01  0.170859D+02
               306           307           308           309           310 
      1  -0.153977D+02  0.325265D+02  0.139033D+02 -0.826194D+01  0.423928D+01
      2   0.126348D+02 -0.242200D+02 -0.184245D+02  0.546338D+01 -0.567702D+01
      3   0.276291D+01 -0.830653D+01  0.452123D+01  0.279855D+01  0.143775D+01
      4  -0.224159D+01 -0.147500D+02  0.373953D+02  0.167995D+02  0.964260D+01
      5  -0.306981D+01 -0.210000D+02  0.992511D+01  0.195522D+02  0.170037D+01
      6   0.976963D+01  0.111179D+02 -0.790787D+01 -0.109939D+02 -0.325979D+01
               311           312           313           314           315 
      1  -0.526169D+01 -0.552941D+01 -0.115591D+02 -0.102089D+02  0.122581D+01
      2   0.993189D+01  0.767507D+01  0.144238D+02  0.952304D+01 -0.917390D+01
      3  -0.467020D+01 -0.214567D+01 -0.286475D+01  0.685836D+00  0.794809D+01
      4  -0.189930D+02 -0.108142D+02  0.100877D+02 -0.214642D+02 -0.183314D+02
      5  -0.109326D+02 -0.181904D+01  0.217286D+02 -0.124034D+02 -0.324949D+02
      6   0.920545D+01  0.765938D+01 -0.129632D+02  0.142940D+02  0.251581D+02
               316           317           318           319           320 
      1   0.408475D+02  0.248529D+02  0.947144D+01  0.266472D+02  0.175149D+02
      2  -0.129971D+02 -0.317674D+00 -0.412606D+01 -0.102526D+00  0.133830D+02
      3  -0.278504D+02 -0.245352D+02 -0.534538D+01 -0.265447D+02 -0.308979D+02
      4   0.502543D+02  0.523092D+02  0.138697D+02  0.575778D+02  0.713993D+02
      5   0.226339D+02  0.161386D+02  0.152921D+02  0.207341D+02  0.253319D+02
      6   0.142420D+02  0.139311D+02  0.758155D+01  0.171081D+02  0.232013D+02
               321           322           323           324           325 
      1   0.277405D+01 -0.324570D+00 -0.288158D+01 -0.602623D+00 -0.237517D+02
      2   0.125641D+01 -0.867102D+00  0.110403D+00  0.168665D+01  0.108494D+02
      3  -0.403046D+01  0.119167D+01  0.277117D+01 -0.108402D+01  0.129023D+02
      4   0.215008D+02  0.130223D+00  0.795478D+01  0.115269D+02  0.179922D+01
      5   0.178807D+02  0.860751D+01  0.115960D+02  0.778040D+01  0.567623D+01
      6   0.141263D+02  0.376918D+01  0.881625D+01  0.618830D+01  0.982249D+01
               326           327           328           329           330 
      1   0.185058D+02  0.304722D+02  0.682978D+01 -0.897277D+01 -0.105726D+02
      2  -0.935481D+01 -0.772007D+01 -0.282779D+01  0.630386D+01  0.701381D+01
      3  -0.915097D+01 -0.227522D+02 -0.400200D+01  0.266892D+01  0.355884D+01
      4  -0.922328D+00 -0.230803D+01  0.473567D+01  0.911110D+01  0.820730D+01
      5  -0.587598D+01 -0.187867D+02 -0.267667D+00  0.899052D+01  0.608594D+01
      6  -0.948042D+01 -0.180762D+02 -0.163450D+01  0.100406D+02  0.108813D+02
               331           332           333           334           335 
      1   0.160361D+02 -0.161170D+02 -0.356808D+02  0.162029D+03  0.336138D+01
      2  -0.375598D+01  0.709309D+01  0.411512D+01 -0.954918D+02 -0.953226D+00
      3  -0.122802D+02  0.902392D+01  0.315657D+02 -0.665376D+02 -0.240815D+01
      4   0.114316D+01  0.815644D+01  0.556921D+01  0.897806D+01  0.161954D+02
      5  -0.437938D+01  0.103053D+02  0.282854D+02  0.650585D+02 -0.235314D+01
      6  -0.760043D+01  0.143138D+02  0.232226D+02  0.175590D+01  0.312370D+01
               336           337           338           339           340 
      1   0.355881D+02  0.405798D+01  0.123519D+02 -0.407397D+01  0.178089D+02
      2  -0.271550D+02 -0.112599D+01 -0.500084D+01  0.163022D+01 -0.161164D+02
      3  -0.843302D+01 -0.293199D+01 -0.735108D+01  0.244375D+01 -0.169257D+01
      4  -0.303945D+01  0.191365D+02  0.303570D+01  0.904168D+00 -0.282487D+01
      5   0.417163D+02 -0.341483D+01  0.254331D+01  0.580319D+01  0.325133D+02
      6   0.273701D+01  0.337687D+01  0.722570D+00  0.400134D+01  0.294627D+01
               341           342           343           344           345 
      1  -0.384974D+01  0.243163D+02  0.548982D+01 -0.554779D+01  0.165120D+02
      2   0.292798D+01 -0.165111D+02 -0.628910D+01  0.114055D+00 -0.977875D+00
      3   0.921762D+00 -0.780525D+01  0.799277D+00  0.543373D+01 -0.155341D+02
      4  -0.334196D+01  0.581176D+01 -0.334145D+01 -0.578646D+01  0.566069D+01
      5   0.433851D+01  0.696074D+01  0.840933D+01  0.362340D+01 -0.120076D+02
      6   0.250561D+01 -0.103480D+01 -0.112421D+01 -0.257156D+01  0.107421D+01
               346           347           348           349           350 
      1  -0.748532D+01 -0.949570D+01  0.776068D+01  0.102500D+02  0.601905D+01
      2   0.555590D+01  0.381885D+00  0.754231D+01 -0.674515D+01  0.597069D+01
      3   0.192942D+01  0.911381D+01 -0.153030D+02 -0.350483D+01 -0.119897D+02
      4   0.814442D+00 -0.154992D+02  0.180431D+02 -0.336473D+01  0.149516D+02
      5  -0.574857D+01  0.156567D+02 -0.288068D+02  0.856245D+01 -0.205416D+02
      6   0.106281D+00 -0.678899D+01  0.854152D+01 -0.109062D+01  0.719244D+01
               351           352           353           354           355 
      1  -0.206992D+02  0.434209D+02 -0.284301D+02 -0.443842D+01 -0.345039D+02
      2  -0.169138D+02 -0.197112D+02  0.128204D+02  0.215107D+01  0.133309D+02
      3   0.376129D+02 -0.237097D+02  0.156097D+02  0.228735D+01  0.211730D+02
      4  -0.226879D+02 -0.369365D+02  0.275523D+02  0.425791D+01  0.377638D+02
      5   0.545309D+02 -0.535983D+01  0.396915D+01  0.113624D+02  0.471991D+01
      6  -0.766334D+01  0.152053D+01 -0.900513D+00 -0.114667D+01 -0.182438D+01
               356           357           358           359           360 
      1   0.205293D+02  0.336583D+01 -0.912577D+01  0.712911D+01  0.102491D+02
      2  -0.194538D+01 -0.102954D+01  0.425541D+01 -0.322332D+01 -0.689240D+01
      3  -0.185839D+02 -0.233629D+01  0.487036D+01 -0.390580D+01 -0.335670D+01
      4  -0.524739D+02 -0.653582D+01  0.972986D+01 -0.829133D+01 -0.849072D+01
      5  -0.580360D+01 -0.593499D+01  0.170460D+02 -0.776768D+01 -0.563416D+01
      6   0.108501D+01  0.334335D+01 -0.209866D+01  0.449577D+01  0.117209D+01
               361           362           363           364           365 
      1  -0.481294D+02 -0.186741D+02 -0.141002D+02 -0.195074D+02 -0.116430D+02
      2   0.220046D+02  0.104407D+02 -0.430908D+01  0.102236D+02  0.413712D+01
      3   0.261248D+02  0.823336D+01  0.184093D+02  0.928382D+01  0.750592D+01
      4  -0.204010D+02 -0.930292D+01  0.217521D+00 -0.625586D+01 -0.597755D+01
      5   0.210783D+02  0.104535D+02 -0.104577D+02  0.105682D+02 -0.155236D+01
      6   0.725187D+01  0.561605D+01  0.416766D+00  0.336091D+01  0.350362D+01
               366           367           368           369           370 
      1  -0.187512D+01 -0.448140D+01 -0.446965D+00 -0.967750D+01 -0.134266D+01
      2  -0.368508D+01 -0.267815D+01 -0.180286D+01  0.294132D+01 -0.201674D+01
      3   0.556019D+01  0.715955D+01  0.224982D+01  0.673618D+01  0.335940D+01
      4  -0.613804D+01  0.146389D+01 -0.388691D+01 -0.296887D+01  0.270970D+01
      5  -0.518437D+01 -0.337071D+01 -0.242514D+01  0.313881D+01 -0.853659D+01
      6   0.550917D+01  0.463666D+00  0.329607D+01  0.756117D+00 -0.322716D+01
               371           372           373           374           375 
      1   0.364342D+01 -0.858998D+01  0.449557D+01 -0.126927D+02  0.182274D+02
      2  -0.124315D+01  0.550782D+01 -0.472678D+01  0.337179D+01  0.702576D+01
      3  -0.240027D+01  0.308217D+01  0.231216D+00  0.932095D+01 -0.252532D+02
      4   0.409394D+01 -0.129563D+01  0.104821D+02  0.292323D+02 -0.246409D+02
      5  -0.120107D+01  0.104203D+02 -0.109888D+02 -0.261717D+02  0.396476D+02
      6  -0.140629D+01  0.197879D+00 -0.690529D+01 -0.258755D+02  0.275892D+02
               376           377           378           379           380 
      1  -0.596279D+01  0.117705D+02 -0.177323D+02  0.320325D+02 -0.163788D+02
      2   0.767391D+01  0.320852D+01 -0.133652D+02 -0.266563D+02  0.137680D+02
      3  -0.171112D+01 -0.149790D+02  0.310975D+02 -0.537624D+01  0.261080D+01
      4  -0.508385D+01 -0.176443D+02  0.210753D+02 -0.208618D+02  0.181888D+02
      5   0.157259D+02  0.215886D+02 -0.434088D+02 -0.374901D+02  0.207795D+02
      6   0.389438D+01  0.198046D+02 -0.247285D+02  0.956893D+01 -0.888864D+01
               381           382           383           384           385 
      1  -0.160817D+02 -0.240620D+02  0.102771D+02  0.103230D+02 -0.100195D+02
      2   0.221635D+02  0.203983D+02 -0.127646D+02 -0.188440D+02  0.156466D+02
      3  -0.608183D+01  0.366363D+01  0.248742D+01  0.852098D+01 -0.562706D+01
      4   0.148335D+02  0.222990D+02 -0.271415D+02 -0.241850D+02  0.988028D+01
      5   0.395028D+02  0.313992D+02 -0.284818D+02 -0.335144D+02  0.285121D+02
      6  -0.671907D+01 -0.114626D+02  0.139924D+02  0.152635D+02 -0.550051D+01
               386           387           388           389           390 
      1   0.461986D+01  0.843510D+01  0.439935D+02  0.574920D+01  0.198113D+02
      2  -0.884134D+01 -0.206041D+02 -0.196058D+02  0.736082D+00 -0.521793D+01
      3   0.422148D+01  0.121690D+02 -0.243877D+02 -0.648528D+01 -0.145934D+02
      4  -0.137255D+02 -0.129304D+02  0.134019D+02  0.126000D+02  0.167988D+02
      5  -0.155049D+02 -0.359723D+02  0.175446D+02  0.134110D+02  0.207137D+02
      6   0.985687D+01  0.759423D+01  0.453164D+01  0.285631D+01  0.545248D+01
               391           392           393           394           395 
      1   0.791158D+01  0.116042D+02  0.161476D+02  0.511726D+02  0.221955D+02
      2   0.123043D+01 -0.892929D+00 -0.359086D+01 -0.187574D+02 -0.494621D+01
      3  -0.914200D+01 -0.107112D+02 -0.125568D+02 -0.324152D+02 -0.172493D+02
      4   0.191556D+02  0.174232D+02  0.129568D+02  0.296096D+02  0.206864D+02
      5   0.146418D+02  0.900227D+01  0.823502D+01  0.209436D+02  0.946997D+01
      6   0.172538D+01  0.158876D+01  0.533093D+01  0.555083D+01  0.431540D+01
               396           397           398           399           400 
      1   0.222996D+02  0.105627D+03 -0.303002D+02 -0.286679D+02 -0.881568D+02
      2  -0.709320D+01 -0.637961D+02  0.193605D+02  0.205104D+02  0.537922D+02
      3  -0.152064D+02 -0.418310D+02  0.109396D+02  0.815754D+01  0.343646D+02
      4   0.137979D+02 -0.217384D+02  0.173518D+02  0.692918D+01  0.273887D+02
      5   0.499118D+02 -0.398686D+02  0.116424D+02  0.257124D+02  0.345390D+02
      6   0.101607D+02  0.284380D+01 -0.228811D+01  0.776372D+00 -0.437831D+01
               401           402           403           404           405 
      1   0.287239D+02  0.249676D+02 -0.402249D+02  0.108019D+02  0.260497D+02
      2  -0.187725D+02 -0.189848D+02  0.285390D+02 -0.927747D+01 -0.192931D+02
      3  -0.995145D+01 -0.598281D+01  0.116860D+02 -0.152439D+01 -0.675657D+01
      4  -0.243033D+02 -0.135405D+02  0.698832D+01 -0.122834D+02 -0.285205D+01
      5  -0.168589D+02 -0.202939D+02  0.372046D+02 -0.586251D+01 -0.232890D+02
      6   0.353036D+01  0.342197D+01  0.144067D+01  0.434028D+01 -0.200484D+00
               406           407           408           409           410 
      1   0.939616D+01  0.665722D+01 -0.986161D+01  0.215477D+02  0.748700D+01
      2  -0.396380D+01 -0.167279D+01  0.523113D+01 -0.562055D+01  0.976865D+01
      3  -0.543236D+01 -0.498443D+01  0.463048D+01 -0.159272D+02 -0.172556D+02
      4   0.888047D+01  0.104273D+02 -0.473597D+01  0.398850D+02  0.614578D+02
      5  -0.112073D+02 -0.429471D+01  0.880017D+01 -0.217050D+02 -0.364673D+02
      6  -0.445285D+01 -0.234043D+01  0.178492D+01 -0.127498D+02 -0.244154D+02
               411           412           413           414           415 
      1  -0.391406D+00 -0.250346D+02 -0.104957D+01  0.718942D+01 -0.270352D+02
      2  -0.264202D+01  0.136654D+02 -0.299305D+01 -0.608519D+01  0.281901D+02
      3   0.303342D+01  0.113692D+02  0.404261D+01 -0.110423D+01 -0.115495D+01
      4  -0.359156D+02 -0.229771D+02 -0.374061D+02  0.328644D+02 -0.409456D+01
      5   0.343570D+02  0.306802D+02  0.325788D+02 -0.388438D+02  0.743520D+01
      6   0.195760D+02  0.115039D+02  0.194594D+02 -0.192174D+02  0.665030D+01
               416           417           418           419           420 
      1   0.326090D+02  0.991403D+01  0.184413D+02 -0.297422D+02 -0.108593D+02
      2  -0.357471D+02 -0.118334D+02 -0.186995D+02  0.400542D+02  0.131105D+02
      3   0.313807D+01  0.191936D+01  0.258214D+00 -0.103121D+02 -0.225117D+01
      4  -0.589200D+00  0.141142D+01  0.442391D+01  0.965345D+01  0.277133D+01
      5  -0.680270D+01 -0.849457D+01 -0.503364D+01  0.881429D+01  0.415685D+01
      6  -0.546145D+01 -0.114781D+02 -0.461010D+01  0.778344D+01  0.729071D+01
               421           422           423           424           425 
      1   0.154448D+02 -0.225391D+02 -0.173509D+02  0.308449D+02  0.902900D+01
      2  -0.147554D+02  0.290874D+02  0.140751D+02  0.433436D+01  0.237971D+02
      3  -0.689438D+00 -0.654830D+01  0.327583D+01 -0.351792D+02 -0.328261D+02
      4   0.393130D+01  0.101108D+02 -0.445950D+00  0.590541D+02  0.622170D+02
      5  -0.753799D+01  0.770406D+01  0.793026D+01 -0.106013D+02 -0.102446D+02
      6  -0.932326D+01  0.104622D+02  0.102786D+02 -0.576888D+01 -0.957589D+01
               426           427           428           429           430 
      1  -0.254662D+00  0.960328D+01  0.133421D+00 -0.117706D+01  0.946103D+00
      2  -0.293054D+01  0.136256D+02  0.331619D+02 -0.739077D+00 -0.143818D+01
      3   0.318520D+01 -0.232289D+02 -0.332953D+02  0.191614D+01  0.492076D+00
      4  -0.808875D+01  0.443710D+02  0.605778D+02 -0.647550D+01 -0.252618D+01
      5   0.868394D+01 -0.771555D+01 -0.734005D+01  0.728124D+01  0.670234D+01
      6   0.729435D+01 -0.645336D+01 -0.831732D+01  0.753950D+01  0.504827D+01
               431           432           433           434           435 
      1  -0.179729D+01 -0.946722D+00 -0.120637D+02  0.121759D+02 -0.145795D+02
      2   0.276379D+01  0.260176D+01  0.706312D+01 -0.891595D+01  0.269568D+01
      3  -0.966498D+00 -0.165504D+01  0.500057D+01 -0.325994D+01  0.118839D+02
      4  -0.113781D+01  0.872951D+01 -0.195302D+00  0.145246D+01 -0.409190D+01
      5   0.839061D+01 -0.444308D+01 -0.320069D+01  0.124754D+01 -0.848503D+01
      6   0.885178D+01 -0.461920D+01 -0.734300D+01  0.476497D+01 -0.147277D+02
               436           437           438           439           440 
      1   0.207803D+01 -0.495140D+01  0.288100D+01 -0.124549D+02  0.169150D+02
      2  -0.151655D+01  0.269573D+01 -0.508796D+01  0.302962D+01 -0.149375D+02
      3  -0.561477D+00  0.225566D+01  0.220696D+01  0.942527D+01 -0.197756D+01
      4   0.142561D+01 -0.953851D+00 -0.436005D+01 -0.605274D+01 -0.106522D+02
      5  -0.133708D+01 -0.433744D+01  0.805344D+00 -0.289585D+01  0.105770D+02
      6   0.294686D+00 -0.478241D+01  0.599451D+01 -0.928917D+01  0.182284D+02
               441           442           443           444           445 
      1  -0.345668D+02 -0.138818D+01  0.366327D+01  0.859995D+01  0.449145D+01
      2   0.384735D+01 -0.197908D+01 -0.124593D+01 -0.545642D+01 -0.470318D+01
      3   0.307195D+02  0.336725D+01 -0.241734D+01 -0.314353D+01  0.211729D+00
      4   0.226857D+00  0.268856D+01  0.403621D+01  0.125711D+01  0.104073D+02
      5  -0.341928D+02  0.847604D+01  0.116375D+01  0.103090D+02  0.109064D+02
      6  -0.400482D+02  0.321705D+01  0.136757D+01  0.137262D+00  0.685583D+01
               446           447           448           449           450 
      1  -0.127896D+02 -0.183098D+02  0.595066D+01 -0.118368D+02 -0.177874D+02
      2   0.345394D+01 -0.700446D+01 -0.762436D+01 -0.316932D+01 -0.132484D+02
      3   0.933571D+01  0.253142D+02  0.167370D+01  0.150062D+02  0.310358D+02
      4   0.292431D+02  0.245887D+02  0.502246D+01  0.176139D+02  0.210390D+02
      5   0.261031D+02  0.395936D+02  0.156217D+02  0.215346D+02  0.432200D+02
      6   0.258894D+02  0.276084D+02  0.383780D+01  0.198182D+02  0.246883D+02
               451           452           453           454           455 
      1  -0.482110D+02 -0.187958D+02  0.139550D+02 -0.195849D+02 -0.117288D+02
      2   0.221118D+02  0.105617D+02  0.438129D+01  0.102897D+02  0.420105D+01
      3   0.260991D+02  0.823407D+01 -0.183363D+02  0.929520D+01  0.752779D+01
      4  -0.205412D+02 -0.946577D+01 -0.332915D+00 -0.634672D+01 -0.603516D+01
      5  -0.211963D+02 -0.105702D+02 -0.104969D+02 -0.106342D+02  0.150049D+01
      6  -0.726771D+01 -0.562444D+01  0.407093D+00 -0.337787D+01 -0.350526D+01
               456           457           458           459           460 
      1   0.183488D+01  0.419395D+01  0.230212D+00 -0.975079D+01  0.319565D+02
      2   0.372092D+01  0.289457D+01  0.198845D+01  0.306413D+01 -0.266402D+02
      3  -0.555579D+01 -0.708852D+01 -0.221866D+01  0.668666D+01 -0.531632D+01
      4   0.609788D+01 -0.169790D+01  0.368157D+01 -0.308984D+01 -0.207981D+02
      5  -0.522255D+01 -0.356534D+01 -0.259437D+01 -0.328098D+01  0.374980D+02
      6   0.550082D+01  0.447841D+00  0.328442D+01 -0.766457D+00 -0.955323D+01
               461           462           463           464           465 
      1  -0.163078D+02  0.160567D+02 -0.239642D+02  0.101908D+02 -0.102877D+02
      2   0.137451D+02 -0.221992D+02  0.203625D+02 -0.127370D+02  0.188660D+02
      3   0.256267D+01  0.614245D+01  0.360174D+01  0.254622D+01 -0.857828D+01
      4   0.181336D+02 -0.148375D+02  0.222199D+02 -0.270482D+02  0.241772D+02
      5  -0.207695D+02  0.395761D+02 -0.313749D+02  0.284542D+02 -0.335583D+02
      6   0.886826D+01 -0.672481D+01  0.114322D+02 -0.139557D+02  0.152695D+02
               466           467           468           469           470 
      1   0.100337D+02 -0.461328D+01  0.842377D+01  0.935209D+01  0.668145D+01
      2  -0.156958D+02  0.886311D+01 -0.206950D+02 -0.393823D+01 -0.169158D+01
      3   0.566212D+01 -0.424983D+01  0.122712D+02 -0.541387D+01 -0.498987D+01
      4  -0.989033D+01  0.137404D+02 -0.129666D+02  0.888693D+01  0.104106D+02
      5   0.285880D+02 -0.155450D+02  0.361348D+02  0.111913D+02  0.428350D+01
      6  -0.551003D+01  0.986697D+01 -0.761901D+01  0.445269D+01  0.233392D+01
               471           472           473           474           475 
      1   0.985311D+01  0.215716D+02  0.745423D+01  0.386432D+00  0.250011D+02
      2  -0.523005D+01 -0.565223D+01  0.976918D+01  0.263216D+01 -0.136707D+02
      3  -0.462305D+01 -0.159194D+02 -0.172234D+02 -0.301859D+01 -0.113304D+02
      4   0.472066D+01  0.398655D+02  0.614728D+02  0.359547D+02  0.229228D+02
      5   0.879987D+01  0.217240D+02  0.365046D+02  0.343913D+02  0.306846D+02
      6   0.177757D+01  0.127533D+02  0.244407D+02  0.195922D+02  0.115018D+02
               476           477           478           479           480 
      1   0.995925D+00  0.718707D+01  0.105273D+03 -0.302781D+02  0.286782D+02
      2   0.299848D+01 -0.611419D+01 -0.636185D+02  0.193525D+02 -0.205344D+02
      3  -0.399441D+01 -0.107288D+01 -0.416542D+02  0.109256D+02 -0.814383D+01
      4   0.373772D+02  0.328292D+02 -0.217748D+02  0.173468D+02 -0.697399D+01
      5   0.325402D+02  0.388203D+02  0.398855D+02 -0.116883D+02  0.257560D+02
      6   0.194592D+02  0.192193D+02 -0.286134D+01  0.229004D+01  0.762863D+00
               481           482           483           484           485 
      1  -0.880519D+02  0.287105D+02 -0.250402D+02  0.403249D+02 -0.108572D+02
      2   0.537562D+02 -0.187778D+02  0.190519D+02 -0.286275D+02  0.931971D+01
      3   0.342957D+02 -0.993273D+01  0.598831D+01 -0.116973D+02  0.153751D+01
      4   0.274166D+02 -0.243394D+02  0.136038D+02 -0.704432D+01  0.123185D+02
      5  -0.346451D+02  0.169253D+02 -0.203874D+02  0.373179D+02 -0.592713D+01
      6   0.439303D+01 -0.354975D+01  0.343926D+01  0.143813D+01  0.434960D+01
               486           487           488           489           490 
      1   0.261312D+02  0.429718D+02  0.576775D+01 -0.210140D+02  0.818437D+01
      2  -0.193793D+02 -0.190804D+02  0.727172D+00  0.576798D+01  0.107932D+01
      3  -0.675193D+01 -0.238914D+02 -0.649493D+01  0.152460D+02 -0.926369D+01
      4  -0.290282D+01  0.131923D+02  0.125892D+02 -0.171743D+02  0.191516D+02
      5   0.234168D+02 -0.184661D+02 -0.135531D+02  0.198430D+02 -0.145623D+02
      6   0.200404D+00 -0.483133D+01 -0.287019D+01  0.517837D+01 -0.165995D+01
               491           492           493           494           495 
      1   0.115499D+02 -0.160500D+02 -0.524198D+02 -0.222960D+02  0.212118D+02
      2  -0.896428D+00  0.352265D+01  0.193533D+02  0.498945D+01 -0.662211D+01
      3  -0.106535D+02  0.125274D+02  0.330665D+02  0.173066D+02 -0.145897D+02
      4   0.173167D+02 -0.130029D+02 -0.299116D+02 -0.207435D+02  0.132646D+02
      5  -0.908035D+01  0.803012D+01  0.200321D+02  0.914843D+01 -0.509242D+02
      6  -0.158777D+01  0.532739D+01  0.525332D+01  0.425456D+01 -0.104126D+02
               496           497           498           499           500 
      1   0.162472D+03  0.348516D+01 -0.350570D+02  0.421370D+01  0.125870D+02
      2  -0.956258D+02 -0.959119D+00  0.269620D+02 -0.114840D+01 -0.506837D+01
      3  -0.668458D+02 -0.252604D+01  0.809498D+01 -0.306529D+01 -0.751862D+01
      4   0.907001D+01  0.164074D+02  0.353757D+01  0.193664D+02  0.323516D+01
      5  -0.645400D+02  0.279298D+01  0.424612D+02  0.386571D+01 -0.211268D+01
      6  -0.166446D+01 -0.306117D+01  0.283658D+01 -0.330750D+01 -0.655036D+00
               501           502           503           504           505 
      1   0.457176D+01 -0.172739D+02  0.423958D+01  0.250463D+02  0.551065D+01
      2  -0.176780D+01  0.159004D+02 -0.304140D+01 -0.166537D+02 -0.629374D+01
      3  -0.280395D+01  0.137344D+01 -0.119818D+01 -0.839267D+01  0.783089D+00
      4  -0.405038D+00  0.323394D+01  0.373093D+01  0.658557D+01 -0.337511D+01
      5   0.667332D+01  0.330861D+02  0.500025D+01 -0.538984D+01 -0.842639D+01
      6   0.412216D+01  0.302207D+01  0.259196D+01  0.125513D+01  0.112697D+01
               506           507           508           509           510 
      1  -0.557658D+01 -0.165046D+02 -0.750472D+01 -0.948245D+01 -0.772780D+01
      2   0.135010D+00  0.991486D+00  0.557624D+01  0.377211D+00 -0.754938D+01
      3   0.544157D+01  0.155131D+02  0.192848D+01  0.910524D+01  0.152772D+02
      4  -0.579502D+01 -0.566935D+01  0.835760D+00 -0.155232D+02 -0.180681D+02
      5  -0.363220D+01 -0.120444D+02  0.577817D+01 -0.156878D+02 -0.288378D+02
      6   0.256450D+01  0.106506D+01 -0.115059D+00  0.679397D+01  0.855074D+01
               511           512           513           514           515 
      1  -0.102218D+02 -0.598707D+01 -0.206496D+02 -0.236267D+02  0.184899D+02
      2   0.675000D+01 -0.599165D+01 -0.169325D+02  0.107880D+02 -0.934001D+01
      3   0.347177D+01  0.119787D+02  0.375821D+02  0.128387D+02 -0.914985D+01
      4   0.340551D+01 -0.149761D+02 -0.227151D+02  0.183084D+01 -0.931061D+00
      5   0.860847D+01 -0.205794D+02 -0.545994D+02 -0.564053D+01  0.588733D+01
      6  -0.109949D+01  0.720404D+01  0.768393D+01 -0.978474D+01  0.947311D+01
               516           517           518           519           520 
      1  -0.304090D+02  0.688424D+01 -0.896987D+01  0.106328D+02 -0.160275D+02
      2   0.767893D+01 -0.285224D+01  0.629301D+01 -0.703573D+01  0.375435D+01
      3   0.227300D+02 -0.403200D+01  0.267686D+01 -0.359703D+01  0.122731D+02
      4   0.233807D+01  0.475061D+01  0.911641D+01 -0.821815D+01 -0.113098D+01
      5  -0.187888D+02  0.301583D+00 -0.901187D+01  0.614934D+01 -0.438180D+01
      6  -0.180590D+02  0.164017D+01 -0.100451D+02  0.109126D+02 -0.758830D+01
               521           522           523           524           525 
      1   0.161389D+02 -0.357486D+02  0.414510D+02  0.248920D+02 -0.906471D+01
      2  -0.708912D+01  0.410310D+01 -0.133012D+02 -0.339160D+00  0.391910D+01
      3  -0.904975D+01  0.316455D+02 -0.281498D+02 -0.245528D+02  0.514560D+01
      4  -0.817889D+01  0.561323D+01  0.503994D+02  0.523377D+02 -0.137919D+02
      5   0.103513D+02 -0.284307D+02 -0.223318D+02 -0.161516D+02  0.155928D+02
      6   0.143354D+02 -0.232869D+02 -0.141201D+02 -0.139266D+02  0.768164D+01
               526           527           528           529           530 
      1   0.266201D+02  0.176018D+02 -0.288985D+01  0.750892D+00  0.286573D+01
      2  -0.920285D-01  0.133073D+02 -0.118360D+01  0.653821D+00 -0.890910D-01
      3  -0.265281D+02 -0.309091D+02  0.407345D+01 -0.140471D+01 -0.277664D+01
      4   0.575898D+02  0.713560D+02 -0.214910D+02 -0.383778D-01 -0.790750D+01
      5  -0.208130D+02 -0.253052D+02  0.178198D+02  0.886897D+01  0.115805D+02
      6  -0.171228D+02 -0.231505D+02  0.140809D+02  0.385870D+01  0.879233D+01
               531           532           533           534           535 
      1  -0.243019D+00  0.433208D+02 -0.282428D+02  0.444977D+01 -0.343691D+02
      2   0.150064D+01 -0.196765D+02  0.126244D+02 -0.215667D+01  0.132090D+02
      3  -0.125762D+01 -0.236442D+02  0.156184D+02 -0.229310D+01  0.211601D+02
      4   0.115871D+02 -0.368446D+02  0.277904D+02 -0.427548D+01  0.378633D+02
      5  -0.752832D+01  0.538192D+01 -0.398003D+01  0.113573D+02 -0.475067D+01
      6  -0.608815D+01 -0.152777D+01  0.931103D+00 -0.114812D+01  0.185249D+01
               536           537           538           539           540 
      1   0.208132D+02 -0.337423D+01  0.911435D+01 -0.718755D+01  0.102436D+02
      2  -0.227979D+01  0.102823D+01 -0.424231D+01  0.328337D+01 -0.688929D+01
      3  -0.185334D+02  0.234600D+01 -0.487204D+01  0.390418D+01 -0.335430D+01
      4  -0.520272D+02  0.658514D+01 -0.977881D+01  0.826397D+01 -0.851150D+01
      5   0.587224D+01 -0.595705D+01  0.170499D+02 -0.779225D+01  0.568057D+01
      6  -0.106587D+01  0.335482D+01 -0.210644D+01  0.449403D+01 -0.118102D+01
               541           542           543           544           545 
      1   0.309586D+02  0.902775D+01  0.282489D+00  0.958139D+01  0.219866D+00
      2   0.426116D+01  0.238028D+02  0.292004D+01  0.136392D+02  0.330528D+02
      3  -0.352198D+02 -0.328306D+02 -0.320253D+01 -0.232206D+02 -0.332727D+02
      4   0.591006D+02  0.622544D+02  0.811113D+01  0.443895D+02  0.605219D+02
      5   0.106314D+02  0.102403D+02  0.869429D+01  0.770962D+01  0.734501D+01
      6   0.577953D+01  0.958045D+01  0.729192D+01  0.646206D+01  0.830320D+01
               546           547           548           549           550 
      1   0.118091D+01 -0.909898D+00  0.179036D+01 -0.943912D+00 -0.269650D+02
      2   0.740923D+00  0.142921D+01 -0.273293D+01  0.260710D+01  0.281222D+02
      3  -0.192183D+01 -0.519308D+00  0.942570D+00 -0.166319D+01 -0.115716D+01
      4   0.648976D+01  0.256695D+01  0.118616D+01  0.873706D+01 -0.404099D+01
      5   0.728170D+01  0.671678D+01  0.839925D+01  0.445294D+01 -0.741501D+01
      6   0.753826D+01  0.504902D+01  0.886330D+01  0.462516D+01 -0.666069D+01
               551           552           553           554           555 
      1   0.325960D+02 -0.994290D+01  0.184194D+02 -0.297696D+02  0.109017D+02
      2  -0.357328D+02  0.118606D+02 -0.186769D+02  0.400942D+02 -0.131632D+02
      3   0.313681D+01 -0.191774D+01  0.257498D+00 -0.103247D+02  0.226150D+01
      4  -0.611357D+00 -0.139190D+01  0.440679D+01  0.969678D+01 -0.279669D+01
      5   0.681483D+01 -0.850830D+01  0.503089D+01 -0.884487D+01  0.418646D+01
      6   0.549735D+01 -0.114928D+02  0.462282D+01 -0.783603D+01  0.732683D+01
               556           557           558           559           560 
      1  -0.154457D+02  0.226020D+02 -0.174056D+02 -0.120997D+02  0.122237D+02
      2   0.147555D+02 -0.291645D+02  0.141329D+02  0.708676D+01 -0.896848D+01
      3   0.690195D+00  0.656250D+01  0.327263D+01  0.501298D+01 -0.325527D+01
      4  -0.392130D+01 -0.101617D+02 -0.417109D+00 -0.209486D+00  0.142280D+01
      5  -0.754407D+01  0.774498D+01 -0.798082D+01  0.320908D+01 -0.125975D+01
      6  -0.933565D+01  0.105198D+02 -0.103414D+02  0.736753D+01 -0.478830D+01
               561           562           563           564           565 
      1   0.146115D+02  0.209987D+01 -0.499281D+01 -0.290309D+01  0.124738D+02
      2  -0.272393D+01 -0.153614D+01  0.273221D+01  0.510671D+01 -0.304176D+01
      3  -0.118876D+02 -0.563731D+00  0.226060D+01 -0.220361D+01 -0.943207D+01
      4   0.409683D+01  0.141711D+01 -0.939678D+00  0.436348D+01  0.606512D+01
      5  -0.851421D+01  0.133359D+01  0.434411D+01  0.814529D+00 -0.292396D+01
      6  -0.147632D+02 -0.310840D+00  0.480765D+01  0.601076D+01 -0.931472D+01
               566           567 
      1  -0.169164D+02 -0.345547D+02
      2   0.149630D+02  0.389507D+01
      3   0.195345D+01  0.306596D+02
      4   0.106533D+02  0.199459D+00
      5   0.105657D+02  0.341418D+02
      6   0.182185D+02  0.399923D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Aug 29 15:18:40 2021, MaxMem=  7516192768 cpu:         1199924.8 elap:          150785.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 1 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 Beta  Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 2-A.
 Alpha  occ. eigenvalues -- -323.34517 -39.08357 -34.27128 -34.27051 -34.24633
 Alpha  occ. eigenvalues --  -24.87517 -24.87517 -24.87439 -24.87439 -24.87339
 Alpha  occ. eigenvalues --  -24.87338 -19.29797 -19.29795 -19.28836 -19.28835
 Alpha  occ. eigenvalues --  -10.55534 -10.55533 -10.40235 -10.40235 -10.39474
 Alpha  occ. eigenvalues --  -10.39473 -10.32017 -10.32016 -10.31965 -10.31964
 Alpha  occ. eigenvalues --  -10.31240 -10.31239 -10.30479 -10.30479 -10.29946
 Alpha  occ. eigenvalues --  -10.29945 -10.29785 -10.29784 -10.29188 -10.29186
 Alpha  occ. eigenvalues --  -10.29049 -10.29047 -10.28862 -10.28862  -4.54015
 Alpha  occ. eigenvalues --   -3.04212  -3.04131  -2.99268  -1.43078  -1.43078
 Alpha  occ. eigenvalues --   -1.34183  -1.34182  -1.33942  -1.33941  -1.17871
 Alpha  occ. eigenvalues --   -1.17444  -1.15934  -1.15810  -1.00804  -1.00757
 Alpha  occ. eigenvalues --   -0.90026  -0.89913  -0.87556  -0.87553  -0.86112
 Alpha  occ. eigenvalues --   -0.85996  -0.84279  -0.84246  -0.79128  -0.79112
 Alpha  occ. eigenvalues --   -0.77925  -0.77906  -0.77196  -0.77164  -0.72960
 Alpha  occ. eigenvalues --   -0.72931  -0.70460  -0.69919  -0.69418  -0.69418
 Alpha  occ. eigenvalues --   -0.68875  -0.68747  -0.66231  -0.66219  -0.64372
 Alpha  occ. eigenvalues --   -0.62473  -0.62181  -0.61744  -0.61560  -0.59854
 Alpha  occ. eigenvalues --   -0.57916  -0.57889  -0.57358  -0.57257  -0.56967
 Alpha  occ. eigenvalues --   -0.56958  -0.56449  -0.56449  -0.55835  -0.55411
 Alpha  occ. eigenvalues --   -0.54800  -0.54742  -0.53473  -0.53328  -0.52988
 Alpha  occ. eigenvalues --   -0.52718  -0.52015  -0.51723  -0.51353  -0.51154
 Alpha  occ. eigenvalues --   -0.50916  -0.50689  -0.50663  -0.50553  -0.50545
 Alpha  occ. eigenvalues --   -0.49708  -0.49353  -0.49132  -0.48918  -0.48675
 Alpha  occ. eigenvalues --   -0.48489  -0.47864  -0.47749  -0.47540  -0.47414
 Alpha  occ. eigenvalues --   -0.47061  -0.46722  -0.46689  -0.46377  -0.45790
 Alpha  occ. eigenvalues --   -0.45065  -0.44051  -0.43779  -0.43447  -0.43440
 Alpha  occ. eigenvalues --   -0.42905  -0.42665  -0.42065  -0.41970  -0.40949
 Alpha  occ. eigenvalues --   -0.40932  -0.39635  -0.39613  -0.38602  -0.38470
 Alpha  occ. eigenvalues --   -0.36110  -0.33234  -0.31948  -0.30941
 Alpha virt. eigenvalues --   -0.00278   0.00117   0.03094   0.03500   0.03597
 Alpha virt. eigenvalues --    0.04096   0.04239   0.04586   0.04678   0.05388
 Alpha virt. eigenvalues --    0.05446   0.05830   0.06076   0.06076   0.06416
 Alpha virt. eigenvalues --    0.06556   0.06699   0.07141   0.07865   0.08255
 Alpha virt. eigenvalues --    0.08289   0.08449   0.08543   0.08736   0.08897
 Alpha virt. eigenvalues --    0.08905   0.09145   0.09572   0.09885   0.09938
 Alpha virt. eigenvalues --    0.10168   0.10355   0.10774   0.11236   0.11341
 Alpha virt. eigenvalues --    0.11595   0.11898   0.12039   0.12343   0.12744
 Alpha virt. eigenvalues --    0.12781   0.13008   0.13062   0.13224   0.13434
 Alpha virt. eigenvalues --    0.13565   0.13625   0.14029   0.14384   0.14470
 Alpha virt. eigenvalues --    0.14600   0.14666   0.14805   0.14920   0.15081
 Alpha virt. eigenvalues --    0.15221   0.15307   0.15561   0.15796   0.15842
 Alpha virt. eigenvalues --    0.16153   0.16424   0.16462   0.17020   0.17109
 Alpha virt. eigenvalues --    0.17245   0.17367   0.17757   0.17829   0.17918
 Alpha virt. eigenvalues --    0.18395   0.18438   0.18595   0.18860   0.19032
 Alpha virt. eigenvalues --    0.19117   0.19369   0.19392   0.19441   0.19727
 Alpha virt. eigenvalues --    0.20008   0.20207   0.20289   0.20473   0.20677
 Alpha virt. eigenvalues --    0.21017   0.21078   0.21198   0.21552   0.21712
 Alpha virt. eigenvalues --    0.21756   0.21954   0.22027   0.22205   0.22293
 Alpha virt. eigenvalues --    0.22589   0.22924   0.23053   0.23251   0.23546
 Alpha virt. eigenvalues --    0.23553   0.23673   0.24126   0.24157   0.24557
 Alpha virt. eigenvalues --    0.24768   0.24785   0.24922   0.25367   0.25421
 Alpha virt. eigenvalues --    0.25588   0.25683   0.25980   0.26155   0.26262
 Alpha virt. eigenvalues --    0.26474   0.26542   0.26607   0.27099   0.27254
 Alpha virt. eigenvalues --    0.27373   0.27411   0.27742   0.27750   0.27926
 Alpha virt. eigenvalues --    0.28100   0.28146   0.28500   0.28631   0.28710
 Alpha virt. eigenvalues --    0.28768   0.29573   0.29663   0.29940   0.29946
 Alpha virt. eigenvalues --    0.30101   0.30329   0.30664   0.30674   0.30810
 Alpha virt. eigenvalues --    0.30842   0.30994   0.31460   0.31626   0.31754
 Alpha virt. eigenvalues --    0.32138   0.32241   0.32701   0.32761   0.33094
 Alpha virt. eigenvalues --    0.33317   0.33429   0.33631   0.33710   0.33753
 Alpha virt. eigenvalues --    0.34397   0.34423   0.34581   0.34632   0.35445
 Alpha virt. eigenvalues --    0.35494   0.35622   0.35781   0.35900   0.36070
 Alpha virt. eigenvalues --    0.36188   0.36211   0.36514   0.36648   0.36724
 Alpha virt. eigenvalues --    0.37045   0.37111   0.37378   0.37437   0.37692
 Alpha virt. eigenvalues --    0.37922   0.38023   0.38417   0.38542   0.38843
 Alpha virt. eigenvalues --    0.39172   0.39186   0.39410   0.39647   0.39739
 Alpha virt. eigenvalues --    0.40177   0.40280   0.40318   0.40627   0.40844
 Alpha virt. eigenvalues --    0.40938   0.41031   0.41220   0.41501   0.41855
 Alpha virt. eigenvalues --    0.42004   0.42225   0.42447   0.42540   0.42688
 Alpha virt. eigenvalues --    0.43115   0.43256   0.43436   0.43446   0.43898
 Alpha virt. eigenvalues --    0.44022   0.44297   0.44369   0.44436   0.44608
 Alpha virt. eigenvalues --    0.44844   0.45194   0.45399   0.45607   0.45783
 Alpha virt. eigenvalues --    0.46228   0.46252   0.46437   0.46728   0.46828
 Alpha virt. eigenvalues --    0.47264   0.47531   0.47626   0.47695   0.47792
 Alpha virt. eigenvalues --    0.48071   0.48179   0.48552   0.48566   0.48867
 Alpha virt. eigenvalues --    0.48999   0.49268   0.49457   0.49838   0.49880
 Alpha virt. eigenvalues --    0.49991   0.50351   0.50513   0.50979   0.51164
 Alpha virt. eigenvalues --    0.51410   0.51706   0.51866   0.52095   0.52737
 Alpha virt. eigenvalues --    0.52741   0.52850   0.53738   0.53786   0.54163
 Alpha virt. eigenvalues --    0.54222   0.54268   0.54668   0.54916   0.55063
 Alpha virt. eigenvalues --    0.55421   0.55941   0.56091   0.56634   0.57010
 Alpha virt. eigenvalues --    0.57193   0.57254   0.57414   0.57802   0.58199
 Alpha virt. eigenvalues --    0.58383   0.58657   0.58897   0.59284   0.59388
 Alpha virt. eigenvalues --    0.59683   0.59923   0.60039   0.60119   0.60435
 Alpha virt. eigenvalues --    0.60487   0.60872   0.61257   0.61311   0.61750
 Alpha virt. eigenvalues --    0.62020   0.62297   0.62436   0.62637   0.62867
 Alpha virt. eigenvalues --    0.63211   0.63469   0.64069   0.64278   0.64347
 Alpha virt. eigenvalues --    0.64575   0.64630   0.64747   0.65224   0.65257
 Alpha virt. eigenvalues --    0.65413   0.65872   0.65917   0.66174   0.66269
 Alpha virt. eigenvalues --    0.66336   0.66570   0.66872   0.67226   0.67403
 Alpha virt. eigenvalues --    0.67673   0.67774   0.67849   0.68247   0.68560
 Alpha virt. eigenvalues --    0.68577   0.69082   0.69158   0.69384   0.69571
 Alpha virt. eigenvalues --    0.69935   0.70403   0.70524   0.70610   0.70920
 Alpha virt. eigenvalues --    0.70960   0.71034   0.71054   0.71614   0.71904
 Alpha virt. eigenvalues --    0.72104   0.72138   0.72811   0.72921   0.73054
 Alpha virt. eigenvalues --    0.73110   0.73928   0.74032   0.74120   0.74453
 Alpha virt. eigenvalues --    0.74534   0.74692   0.75070   0.75306   0.75368
 Alpha virt. eigenvalues --    0.75679   0.76070   0.76604   0.77185   0.77375
 Alpha virt. eigenvalues --    0.77596   0.77624   0.77947   0.78012   0.78134
 Alpha virt. eigenvalues --    0.78440   0.78488   0.78730   0.79133   0.79478
 Alpha virt. eigenvalues --    0.79543   0.79901   0.79924   0.80323   0.80462
 Alpha virt. eigenvalues --    0.80930   0.81302   0.81536   0.81585   0.81863
 Alpha virt. eigenvalues --    0.82113   0.82377   0.82798   0.82968   0.83250
 Alpha virt. eigenvalues --    0.83584   0.83778   0.84263   0.84358   0.84710
 Alpha virt. eigenvalues --    0.84917   0.84975   0.85176   0.85472   0.85629
 Alpha virt. eigenvalues --    0.85741   0.86151   0.86364   0.86952   0.87019
 Alpha virt. eigenvalues --    0.87059   0.87357   0.87546   0.87822   0.88338
 Alpha virt. eigenvalues --    0.88575   0.88641   0.89066   0.89068   0.89473
 Alpha virt. eigenvalues --    0.89804   0.90105   0.90384   0.90513   0.90954
 Alpha virt. eigenvalues --    0.91358   0.91425   0.91610   0.91617   0.92032
 Alpha virt. eigenvalues --    0.92553   0.92691   0.93449   0.94016   0.94064
 Alpha virt. eigenvalues --    0.94110   0.94261   0.94746   0.95022   0.95658
 Alpha virt. eigenvalues --    0.95751   0.96085   0.96397   0.96826   0.96857
 Alpha virt. eigenvalues --    0.97254   0.97784   0.98254   0.98342   0.99591
 Alpha virt. eigenvalues --    0.99836   1.00130   1.00407   1.00680   1.00766
 Alpha virt. eigenvalues --    1.01197   1.02039   1.02169   1.02791   1.03068
 Alpha virt. eigenvalues --    1.03208   1.03733   1.04211   1.04347   1.05303
 Alpha virt. eigenvalues --    1.05792   1.06321   1.06857   1.06940   1.07739
 Alpha virt. eigenvalues --    1.08168   1.08185   1.08326   1.08725   1.09436
 Alpha virt. eigenvalues --    1.09522   1.10156   1.10982   1.11278   1.11423
 Alpha virt. eigenvalues --    1.12766   1.12810   1.13178   1.13689   1.14007
 Alpha virt. eigenvalues --    1.14409   1.14572   1.14880   1.15260   1.16175
 Alpha virt. eigenvalues --    1.16776   1.17108   1.17194   1.18330   1.18620
 Alpha virt. eigenvalues --    1.18907   1.19276   1.19701   1.19919   1.20189
 Alpha virt. eigenvalues --    1.20311   1.20726   1.21771   1.22006   1.22844
 Alpha virt. eigenvalues --    1.23010   1.23048   1.24318   1.24453   1.25200
 Alpha virt. eigenvalues --    1.25568   1.25651   1.26265   1.26624   1.26652
 Alpha virt. eigenvalues --    1.27528   1.27576   1.28148   1.28487   1.28642
 Alpha virt. eigenvalues --    1.29477   1.29626   1.29867   1.30084   1.30737
 Alpha virt. eigenvalues --    1.31168   1.31589   1.31689   1.32173   1.33241
 Alpha virt. eigenvalues --    1.33537   1.33983   1.34058   1.34541   1.35107
 Alpha virt. eigenvalues --    1.35663   1.36611   1.36969   1.37250   1.37671
 Alpha virt. eigenvalues --    1.37948   1.38039   1.38524   1.38692   1.39581
 Alpha virt. eigenvalues --    1.39715   1.40408   1.41097   1.41186   1.41569
 Alpha virt. eigenvalues --    1.42295   1.42524   1.42692   1.43090   1.43876
 Alpha virt. eigenvalues --    1.44367   1.44711   1.45042   1.45255   1.45991
 Alpha virt. eigenvalues --    1.46617   1.47186   1.47281   1.48419   1.48738
 Alpha virt. eigenvalues --    1.49263   1.49593   1.49866   1.50662   1.50994
 Alpha virt. eigenvalues --    1.51639   1.51876   1.52537   1.52704   1.53670
 Alpha virt. eigenvalues --    1.53988   1.54214   1.55013   1.55499   1.55692
 Alpha virt. eigenvalues --    1.56146   1.56703   1.57634   1.57800   1.57853
 Alpha virt. eigenvalues --    1.58670   1.59437   1.59516   1.59836   1.59888
 Alpha virt. eigenvalues --    1.60823   1.60845   1.60954   1.61659   1.61808
 Alpha virt. eigenvalues --    1.62189   1.62422   1.62911   1.63285   1.64292
 Alpha virt. eigenvalues --    1.64760   1.64969   1.65326   1.65621   1.65689
 Alpha virt. eigenvalues --    1.65785   1.66372   1.66648   1.67531   1.67728
 Alpha virt. eigenvalues --    1.67783   1.68515   1.68794   1.68872   1.69153
 Alpha virt. eigenvalues --    1.69554   1.69666   1.69815   1.70051   1.70598
 Alpha virt. eigenvalues --    1.71168   1.72065   1.72070   1.72545   1.72756
 Alpha virt. eigenvalues --    1.72999   1.73603   1.74002   1.74028   1.74820
 Alpha virt. eigenvalues --    1.75177   1.75748   1.76456   1.76830   1.76938
 Alpha virt. eigenvalues --    1.77727   1.78196   1.78519   1.78822   1.79299
 Alpha virt. eigenvalues --    1.79866   1.80093   1.81421   1.81438   1.81737
 Alpha virt. eigenvalues --    1.81836   1.81925   1.82443   1.82844   1.82948
 Alpha virt. eigenvalues --    1.83544   1.83785   1.84306   1.84353   1.84579
 Alpha virt. eigenvalues --    1.84825   1.85668   1.86058   1.86840   1.87014
 Alpha virt. eigenvalues --    1.87381   1.87418   1.87758   1.88192   1.88937
 Alpha virt. eigenvalues --    1.89155   1.89224   1.90301   1.90452   1.91228
 Alpha virt. eigenvalues --    1.91241   1.91425   1.91991   1.92198   1.92941
 Alpha virt. eigenvalues --    1.93220   1.93593   1.93671   1.94231   1.94661
 Alpha virt. eigenvalues --    1.94912   1.95236   1.95432   1.95565   1.96060
 Alpha virt. eigenvalues --    1.96398   1.97089   1.97696   1.98267   1.98694
 Alpha virt. eigenvalues --    1.99429   1.99532   1.99867   2.00465   2.00642
 Alpha virt. eigenvalues --    2.01431   2.01588   2.01621   2.02666   2.02718
 Alpha virt. eigenvalues --    2.02966   2.03506   2.04168   2.04605   2.05024
 Alpha virt. eigenvalues --    2.05229   2.05561   2.06343   2.06462   2.07500
 Alpha virt. eigenvalues --    2.08066   2.08529   2.08776   2.09519   2.10614
 Alpha virt. eigenvalues --    2.10846   2.11132   2.11440   2.11883   2.12431
 Alpha virt. eigenvalues --    2.12438   2.13331   2.13346   2.14234   2.14820
 Alpha virt. eigenvalues --    2.15213   2.15741   2.15831   2.16282   2.16549
 Alpha virt. eigenvalues --    2.17535   2.18283   2.18306   2.18977   2.19576
 Alpha virt. eigenvalues --    2.19965   2.20190   2.20225   2.21710   2.22436
 Alpha virt. eigenvalues --    2.22913   2.24050   2.24410   2.24548   2.24703
 Alpha virt. eigenvalues --    2.25100   2.25210   2.25637   2.25689   2.26343
 Alpha virt. eigenvalues --    2.26363   2.27601   2.27761   2.28327   2.28650
 Alpha virt. eigenvalues --    2.28967   2.29426   2.29617   2.30533   2.30670
 Alpha virt. eigenvalues --    2.31232   2.32036   2.33333   2.33344   2.33784
 Alpha virt. eigenvalues --    2.34625   2.34934   2.35150   2.35361   2.35828
 Alpha virt. eigenvalues --    2.37769   2.38023   2.38054   2.38876   2.39461
 Alpha virt. eigenvalues --    2.39753   2.41348   2.41740   2.41927   2.42783
 Alpha virt. eigenvalues --    2.42958   2.43414   2.44057   2.44192   2.45147
 Alpha virt. eigenvalues --    2.45383   2.46126   2.46393   2.46473   2.46904
 Alpha virt. eigenvalues --    2.47850   2.48058   2.48739   2.48818   2.49577
 Alpha virt. eigenvalues --    2.49651   2.50843   2.50928   2.52022   2.52142
 Alpha virt. eigenvalues --    2.53515   2.53995   2.54677   2.55002   2.55665
 Alpha virt. eigenvalues --    2.55771   2.56092   2.56164   2.57173   2.58141
 Alpha virt. eigenvalues --    2.58937   2.59202   2.59813   2.60072   2.60890
 Alpha virt. eigenvalues --    2.61484   2.62592   2.62912   2.63207   2.63781
 Alpha virt. eigenvalues --    2.63979   2.64729   2.65675   2.65977   2.66959
 Alpha virt. eigenvalues --    2.66970   2.67848   2.68232   2.68307   2.68546
 Alpha virt. eigenvalues --    2.69041   2.71456   2.71466   2.71678   2.72126
 Alpha virt. eigenvalues --    2.73261   2.73924   2.74724   2.75248   2.76167
 Alpha virt. eigenvalues --    2.76333   2.77006   2.77113   2.79102   2.79218
 Alpha virt. eigenvalues --    2.80082   2.80406   2.81196   2.81733   2.83202
 Alpha virt. eigenvalues --    2.84173   2.87290   2.87425   2.87878   2.88957
 Alpha virt. eigenvalues --    2.90644   2.90972   2.92415   2.93047   2.93590
 Alpha virt. eigenvalues --    2.96039   2.96447   2.98173   2.99153   3.00478
 Alpha virt. eigenvalues --    3.00915   3.01189   3.04025   3.04796   3.07156
 Alpha virt. eigenvalues --    3.08171   3.09149   3.10625   3.12510   3.17748
 Alpha virt. eigenvalues --    3.18872   3.19459   3.26277   3.26575   3.29301
 Alpha virt. eigenvalues --    3.29324   3.31925   3.32751   3.35157   3.35645
 Alpha virt. eigenvalues --    3.38006   3.39940   3.41149   3.43693   3.47324
 Alpha virt. eigenvalues --    3.49533   3.49745   3.50703   3.52302   3.53849
 Alpha virt. eigenvalues --    3.54029   3.55923   3.57356   3.58962   3.60677
 Alpha virt. eigenvalues --    3.60815   3.63115   3.64150   3.64207   3.68311
 Alpha virt. eigenvalues --    3.68424   3.70527   3.71740   3.73332   3.73538
 Alpha virt. eigenvalues --    3.76288   3.78194   3.81463   3.83171   3.85522
 Alpha virt. eigenvalues --    3.88525   3.96311   3.97431   4.03138   4.07984
 Alpha virt. eigenvalues --    4.10853   4.17941   4.21173   4.26529   4.35523
 Alpha virt. eigenvalues --    4.41536   4.41772   4.47798   4.49226   4.61531
 Alpha virt. eigenvalues --    4.61559   4.64532   4.64725   4.64838   4.65283
 Alpha virt. eigenvalues --    4.66119   4.66890   4.67340   4.67466   4.69980
 Alpha virt. eigenvalues --    4.69998   4.70983   4.71998   4.72642   4.73457
 Alpha virt. eigenvalues --    4.76640   4.76681   4.78459   4.79545   4.82406
 Alpha virt. eigenvalues --    4.83607   4.85200   4.85408   4.90660   4.91263
 Alpha virt. eigenvalues --    4.93531   4.94057   4.98672   4.98957   5.10102
 Alpha virt. eigenvalues --    5.10397   5.56864   5.59719   5.94639   6.14272
 Alpha virt. eigenvalues --    6.17178   6.20610   6.22423   6.63264   6.65169
  Beta  occ. eigenvalues -- -323.34481 -39.06033 -34.24597 -34.24524 -34.23994
  Beta  occ. eigenvalues --  -24.87514 -24.87514 -24.87437 -24.87437 -24.87340
  Beta  occ. eigenvalues --  -24.87339 -19.29563 -19.29561 -19.28614 -19.28614
  Beta  occ. eigenvalues --  -10.55510 -10.55509 -10.40243 -10.40243 -10.39487
  Beta  occ. eigenvalues --  -10.39486 -10.31997 -10.31996 -10.31965 -10.31963
  Beta  occ. eigenvalues --  -10.31241 -10.31240 -10.30480 -10.30480 -10.29940
  Beta  occ. eigenvalues --  -10.29939 -10.29785 -10.29784 -10.29187 -10.29186
  Beta  occ. eigenvalues --  -10.29050 -10.29048 -10.28862 -10.28862  -4.49695
  Beta  occ. eigenvalues --   -2.97920  -2.97852  -2.97817  -1.43070  -1.43069
  Beta  occ. eigenvalues --   -1.34180  -1.34179  -1.33934  -1.33933  -1.17432
  Beta  occ. eigenvalues --   -1.16999  -1.15473  -1.15325  -1.00762  -1.00715
  Beta  occ. eigenvalues --   -0.89957  -0.89849  -0.87544  -0.87539  -0.86071
  Beta  occ. eigenvalues --   -0.85954  -0.84210  -0.84160  -0.79119  -0.79104
  Beta  occ. eigenvalues --   -0.77898  -0.77886  -0.77165  -0.77145  -0.72856
  Beta  occ. eigenvalues --   -0.72836  -0.70332  -0.69851  -0.69405  -0.69404
  Beta  occ. eigenvalues --   -0.68718  -0.68659  -0.66175  -0.66060  -0.64037
  Beta  occ. eigenvalues --   -0.62071  -0.61884  -0.61241  -0.59470  -0.59465
  Beta  occ. eigenvalues --   -0.57879  -0.57873  -0.57275  -0.57205  -0.56950
  Beta  occ. eigenvalues --   -0.56941  -0.56422  -0.56417  -0.55371  -0.54802
  Beta  occ. eigenvalues --   -0.54656  -0.54533  -0.53381  -0.53284  -0.52862
  Beta  occ. eigenvalues --   -0.52694  -0.51655  -0.51267  -0.51198  -0.51045
  Beta  occ. eigenvalues --   -0.50675  -0.50663  -0.50539  -0.50426  -0.50070
  Beta  occ. eigenvalues --   -0.49307  -0.49037  -0.48897  -0.48539  -0.48363
  Beta  occ. eigenvalues --   -0.48006  -0.47758  -0.47453  -0.47306  -0.47006
  Beta  occ. eigenvalues --   -0.46516  -0.46311  -0.44881  -0.44590  -0.44022
  Beta  occ. eigenvalues --   -0.43716  -0.43593  -0.43441  -0.43437  -0.42764
  Beta  occ. eigenvalues --   -0.42617  -0.42016  -0.41880  -0.41162  -0.40711
  Beta  occ. eigenvalues --   -0.39670  -0.38937  -0.38632  -0.38506  -0.37477
  Beta  occ. eigenvalues --   -0.35088  -0.31893  -0.30739
  Beta virt. eigenvalues --   -0.03839  -0.00179   0.00192   0.03104   0.03502
  Beta virt. eigenvalues --    0.03588   0.04106   0.04239   0.04586   0.04681
  Beta virt. eigenvalues --    0.05388   0.05444   0.05830   0.06074   0.06080
  Beta virt. eigenvalues --    0.06417   0.06558   0.06739   0.07141   0.07868
  Beta virt. eigenvalues --    0.08267   0.08289   0.08466   0.08541   0.08743
  Beta virt. eigenvalues --    0.08906   0.08969   0.09155   0.09573   0.09886
  Beta virt. eigenvalues --    0.09935   0.10180   0.10356   0.10775   0.11237
  Beta virt. eigenvalues --    0.11353   0.11595   0.11903   0.12038   0.12357
  Beta virt. eigenvalues --    0.12750   0.12794   0.13022   0.13063   0.13232
  Beta virt. eigenvalues --    0.13435   0.13568   0.13639   0.14031   0.14403
  Beta virt. eigenvalues --    0.14487   0.14606   0.14668   0.14808   0.14931
  Beta virt. eigenvalues --    0.15087   0.15223   0.15309   0.15572   0.15825
  Beta virt. eigenvalues --    0.15845   0.16155   0.16430   0.16469   0.17026
  Beta virt. eigenvalues --    0.17121   0.17292   0.17373   0.17769   0.17855
  Beta virt. eigenvalues --    0.17922   0.18407   0.18446   0.18600   0.18868
  Beta virt. eigenvalues --    0.19042   0.19121   0.19381   0.19396   0.19459
  Beta virt. eigenvalues --    0.19733   0.20015   0.20210   0.20312   0.20491
  Beta virt. eigenvalues --    0.20686   0.21023   0.21101   0.21201   0.21569
  Beta virt. eigenvalues --    0.21733   0.21767   0.21965   0.22055   0.22211
  Beta virt. eigenvalues --    0.22298   0.22599   0.22920   0.23072   0.23270
  Beta virt. eigenvalues --    0.23547   0.23563   0.23685   0.24136   0.24160
  Beta virt. eigenvalues --    0.24574   0.24780   0.24799   0.24928   0.25373
  Beta virt. eigenvalues --    0.25426   0.25596   0.25710   0.25998   0.26179
  Beta virt. eigenvalues --    0.26276   0.26482   0.26561   0.26636   0.27133
  Beta virt. eigenvalues --    0.27269   0.27380   0.27431   0.27757   0.27780
  Beta virt. eigenvalues --    0.27937   0.28109   0.28142   0.28512   0.28640
  Beta virt. eigenvalues --    0.28716   0.28783   0.29581   0.29680   0.29948
  Beta virt. eigenvalues --    0.29959   0.30106   0.30340   0.30683   0.30684
  Beta virt. eigenvalues --    0.30820   0.30860   0.31033   0.31483   0.31634
  Beta virt. eigenvalues --    0.31762   0.32144   0.32274   0.32711   0.32796
  Beta virt. eigenvalues --    0.33125   0.33331   0.33467   0.33656   0.33721
  Beta virt. eigenvalues --    0.33762   0.34404   0.34442   0.34615   0.34680
  Beta virt. eigenvalues --    0.35450   0.35523   0.35639   0.35803   0.35943
  Beta virt. eigenvalues --    0.36078   0.36210   0.36222   0.36535   0.36669
  Beta virt. eigenvalues --    0.36758   0.37068   0.37144   0.37394   0.37457
  Beta virt. eigenvalues --    0.37714   0.37956   0.38044   0.38439   0.38555
  Beta virt. eigenvalues --    0.38873   0.39179   0.39206   0.39451   0.39655
  Beta virt. eigenvalues --    0.39772   0.40198   0.40320   0.40325   0.40631
  Beta virt. eigenvalues --    0.40891   0.40953   0.41045   0.41259   0.41528
  Beta virt. eigenvalues --    0.41870   0.42013   0.42271   0.42463   0.42575
  Beta virt. eigenvalues --    0.42725   0.43124   0.43278   0.43458   0.43462
  Beta virt. eigenvalues --    0.43933   0.44050   0.44324   0.44397   0.44455
  Beta virt. eigenvalues --    0.44631   0.44898   0.45198   0.45412   0.45635
  Beta virt. eigenvalues --    0.45814   0.46267   0.46274   0.46462   0.46754
  Beta virt. eigenvalues --    0.46863   0.47278   0.47571   0.47637   0.47727
  Beta virt. eigenvalues --    0.47813   0.48082   0.48209   0.48568   0.48578
  Beta virt. eigenvalues --    0.48892   0.49009   0.49278   0.49472   0.49858
  Beta virt. eigenvalues --    0.49910   0.49999   0.50361   0.50524   0.50993
  Beta virt. eigenvalues --    0.51222   0.51422   0.51716   0.51876   0.52114
  Beta virt. eigenvalues --    0.52749   0.52767   0.52875   0.53761   0.53793
  Beta virt. eigenvalues --    0.54187   0.54254   0.54289   0.54689   0.54968
  Beta virt. eigenvalues --    0.55099   0.55480   0.55954   0.56112   0.56670
  Beta virt. eigenvalues --    0.57025   0.57215   0.57272   0.57429   0.57811
  Beta virt. eigenvalues --    0.58213   0.58398   0.58669   0.58907   0.59294
  Beta virt. eigenvalues --    0.59408   0.59701   0.59941   0.60067   0.60131
  Beta virt. eigenvalues --    0.60449   0.60507   0.60896   0.61279   0.61323
  Beta virt. eigenvalues --    0.61760   0.62035   0.62312   0.62456   0.62652
  Beta virt. eigenvalues --    0.62901   0.63220   0.63487   0.64075   0.64293
  Beta virt. eigenvalues --    0.64360   0.64584   0.64645   0.64770   0.65244
  Beta virt. eigenvalues --    0.65282   0.65425   0.65890   0.65935   0.66185
  Beta virt. eigenvalues --    0.66284   0.66348   0.66579   0.66883   0.67246
  Beta virt. eigenvalues --    0.67417   0.67686   0.67784   0.67865   0.68258
  Beta virt. eigenvalues --    0.68579   0.68592   0.69103   0.69171   0.69395
  Beta virt. eigenvalues --    0.69593   0.69950   0.70427   0.70550   0.70634
  Beta virt. eigenvalues --    0.70936   0.71004   0.71051   0.71072   0.71626
  Beta virt. eigenvalues --    0.71922   0.72153   0.72161   0.72828   0.72938
  Beta virt. eigenvalues --    0.73087   0.73124   0.73934   0.74062   0.74136
  Beta virt. eigenvalues --    0.74469   0.74553   0.74704   0.75093   0.75312
  Beta virt. eigenvalues --    0.75410   0.75699   0.76115   0.76621   0.77218
  Beta virt. eigenvalues --    0.77389   0.77612   0.77645   0.77990   0.78026
  Beta virt. eigenvalues --    0.78151   0.78495   0.78497   0.78737   0.79147
  Beta virt. eigenvalues --    0.79489   0.79596   0.79908   0.79947   0.80337
  Beta virt. eigenvalues --    0.80500   0.80945   0.81332   0.81545   0.81596
  Beta virt. eigenvalues --    0.81879   0.82149   0.82396   0.82810   0.82972
  Beta virt. eigenvalues --    0.83282   0.83602   0.83804   0.84284   0.84391
  Beta virt. eigenvalues --    0.84726   0.84938   0.84998   0.85186   0.85489
  Beta virt. eigenvalues --    0.85640   0.85756   0.86175   0.86385   0.86975
  Beta virt. eigenvalues --    0.87034   0.87095   0.87366   0.87571   0.87842
  Beta virt. eigenvalues --    0.88351   0.88601   0.88655   0.89081   0.89096
  Beta virt. eigenvalues --    0.89487   0.89822   0.90146   0.90413   0.90529
  Beta virt. eigenvalues --    0.90965   0.91380   0.91434   0.91634   0.91635
  Beta virt. eigenvalues --    0.92058   0.92617   0.92715   0.93472   0.94026
  Beta virt. eigenvalues --    0.94088   0.94118   0.94295   0.94766   0.95029
  Beta virt. eigenvalues --    0.95677   0.95761   0.96136   0.96404   0.96859
  Beta virt. eigenvalues --    0.96872   0.97270   0.97828   0.98265   0.98356
  Beta virt. eigenvalues --    0.99648   0.99849   1.00152   1.00416   1.00713
  Beta virt. eigenvalues --    1.00799   1.01206   1.02056   1.02188   1.02807
  Beta virt. eigenvalues --    1.03079   1.03224   1.03753   1.04225   1.04376
  Beta virt. eigenvalues --    1.05333   1.05803   1.06428   1.06872   1.06957
  Beta virt. eigenvalues --    1.07758   1.08216   1.08299   1.08348   1.08746
  Beta virt. eigenvalues --    1.09467   1.09611   1.10174   1.11008   1.11310
  Beta virt. eigenvalues --    1.11441   1.12784   1.12867   1.13188   1.13709
  Beta virt. eigenvalues --    1.14027   1.14435   1.14579   1.14927   1.15283
  Beta virt. eigenvalues --    1.16393   1.16868   1.17122   1.17295   1.18350
  Beta virt. eigenvalues --    1.18644   1.18922   1.19423   1.19729   1.19941
  Beta virt. eigenvalues --    1.20198   1.20387   1.20740   1.21809   1.22023
  Beta virt. eigenvalues --    1.22859   1.23062   1.23100   1.24393   1.24474
  Beta virt. eigenvalues --    1.25266   1.25589   1.25724   1.26321   1.26674
  Beta virt. eigenvalues --    1.26748   1.27547   1.27590   1.28267   1.28507
  Beta virt. eigenvalues --    1.28714   1.29493   1.29679   1.29912   1.30100
  Beta virt. eigenvalues --    1.30758   1.31220   1.31639   1.31741   1.32191
  Beta virt. eigenvalues --    1.33263   1.33560   1.33998   1.34074   1.34557
  Beta virt. eigenvalues --    1.35123   1.35719   1.36623   1.36991   1.37279
  Beta virt. eigenvalues --    1.37689   1.38040   1.38061   1.38592   1.38743
  Beta virt. eigenvalues --    1.39634   1.39746   1.40433   1.41111   1.41202
  Beta virt. eigenvalues --    1.41587   1.42308   1.42559   1.42708   1.43219
  Beta virt. eigenvalues --    1.43896   1.44439   1.44741   1.45087   1.45277
  Beta virt. eigenvalues --    1.46020   1.46714   1.47214   1.47330   1.48446
  Beta virt. eigenvalues --    1.48806   1.49281   1.49610   1.49885   1.50672
  Beta virt. eigenvalues --    1.51025   1.51655   1.51938   1.52548   1.52717
  Beta virt. eigenvalues --    1.53713   1.54026   1.54268   1.55050   1.55560
  Beta virt. eigenvalues --    1.55725   1.56172   1.56766   1.57671   1.57826
  Beta virt. eigenvalues --    1.57872   1.58686   1.59448   1.59535   1.59862
  Beta virt. eigenvalues --    1.59915   1.60836   1.60847   1.60999   1.61668
  Beta virt. eigenvalues --    1.61837   1.62199   1.62434   1.62932   1.63312
  Beta virt. eigenvalues --    1.64318   1.64789   1.64978   1.65348   1.65643
  Beta virt. eigenvalues --    1.65712   1.65797   1.66390   1.66676   1.67550
  Beta virt. eigenvalues --    1.67759   1.67804   1.68533   1.68820   1.68892
  Beta virt. eigenvalues --    1.69171   1.69568   1.69687   1.69829   1.70098
  Beta virt. eigenvalues --    1.70620   1.71197   1.72080   1.72108   1.72587
  Beta virt. eigenvalues --    1.72786   1.73024   1.73631   1.74025   1.74044
  Beta virt. eigenvalues --    1.74862   1.75198   1.75825   1.76508   1.76854
  Beta virt. eigenvalues --    1.76952   1.77737   1.78234   1.78544   1.78904
  Beta virt. eigenvalues --    1.79321   1.79899   1.80123   1.81454   1.81463
  Beta virt. eigenvalues --    1.81774   1.81863   1.81955   1.82485   1.82858
  Beta virt. eigenvalues --    1.82960   1.83574   1.83806   1.84346   1.84371
  Beta virt. eigenvalues --    1.84610   1.84869   1.85699   1.86099   1.86850
  Beta virt. eigenvalues --    1.87032   1.87440   1.87462   1.87786   1.88210
  Beta virt. eigenvalues --    1.88985   1.89198   1.89257   1.90401   1.90479
  Beta virt. eigenvalues --    1.91250   1.91266   1.91447   1.92029   1.92251
  Beta virt. eigenvalues --    1.92958   1.93237   1.93606   1.93736   1.94280
  Beta virt. eigenvalues --    1.94707   1.94939   1.95246   1.95452   1.95605
  Beta virt. eigenvalues --    1.96088   1.96405   1.97125   1.97743   1.98301
  Beta virt. eigenvalues --    1.98721   1.99452   1.99607   1.99913   2.00493
  Beta virt. eigenvalues --    2.00660   2.01462   2.01604   2.01667   2.02715
  Beta virt. eigenvalues --    2.02742   2.02997   2.03531   2.04209   2.04654
  Beta virt. eigenvalues --    2.05058   2.05274   2.05577   2.06372   2.06493
  Beta virt. eigenvalues --    2.07521   2.08080   2.08568   2.08810   2.09542
  Beta virt. eigenvalues --    2.10645   2.10937   2.11155   2.11471   2.11912
  Beta virt. eigenvalues --    2.12443   2.12483   2.13371   2.13414   2.14271
  Beta virt. eigenvalues --    2.14842   2.15227   2.15759   2.15882   2.16389
  Beta virt. eigenvalues --    2.16574   2.17605   2.18309   2.18374   2.19008
  Beta virt. eigenvalues --    2.19633   2.20001   2.20230   2.20256   2.21727
  Beta virt. eigenvalues --    2.22500   2.22976   2.24067   2.24462   2.24579
  Beta virt. eigenvalues --    2.24720   2.25139   2.25243   2.25649   2.25741
  Beta virt. eigenvalues --    2.26359   2.26386   2.27629   2.27792   2.28368
  Beta virt. eigenvalues --    2.28687   2.29004   2.29448   2.29650   2.30565
  Beta virt. eigenvalues --    2.30736   2.31250   2.32050   2.33352   2.33367
  Beta virt. eigenvalues --    2.33825   2.34655   2.34953   2.35164   2.35402
  Beta virt. eigenvalues --    2.35880   2.37808   2.38088   2.38102   2.38896
  Beta virt. eigenvalues --    2.39526   2.39771   2.41361   2.41755   2.41942
  Beta virt. eigenvalues --    2.42814   2.42988   2.43461   2.44080   2.44225
  Beta virt. eigenvalues --    2.45200   2.45406   2.46151   2.46415   2.46508
  Beta virt. eigenvalues --    2.46921   2.47895   2.48074   2.48776   2.48863
  Beta virt. eigenvalues --    2.49591   2.49758   2.50927   2.50948   2.52084
  Beta virt. eigenvalues --    2.52155   2.53582   2.54017   2.54698   2.55026
  Beta virt. eigenvalues --    2.55750   2.55785   2.56105   2.56317   2.57223
  Beta virt. eigenvalues --    2.58171   2.59045   2.59218   2.59836   2.60150
  Beta virt. eigenvalues --    2.60904   2.61499   2.62603   2.62938   2.63236
  Beta virt. eigenvalues --    2.63902   2.64035   2.64752   2.65714   2.65997
  Beta virt. eigenvalues --    2.66992   2.67006   2.67866   2.68241   2.68337
  Beta virt. eigenvalues --    2.68681   2.69464   2.71476   2.71516   2.71703
  Beta virt. eigenvalues --    2.72186   2.73278   2.73967   2.74732   2.75406
  Beta virt. eigenvalues --    2.76340   2.76382   2.77027   2.77121   2.79118
  Beta virt. eigenvalues --    2.79260   2.80139   2.80452   2.81225   2.81775
  Beta virt. eigenvalues --    2.83367   2.84197   2.87366   2.87464   2.87951
  Beta virt. eigenvalues --    2.88979   2.90680   2.90983   2.92436   2.93224
  Beta virt. eigenvalues --    2.93693   2.96159   2.96455   2.98291   2.99175
  Beta virt. eigenvalues --    3.00502   3.00944   3.01209   3.04074   3.04817
  Beta virt. eigenvalues --    3.07228   3.08190   3.09193   3.10666   3.12724
  Beta virt. eigenvalues --    3.18831   3.18922   3.19616   3.26427   3.26775
  Beta virt. eigenvalues --    3.29639   3.30215   3.32930   3.33109   3.35608
  Beta virt. eigenvalues --    3.35918   3.38514   3.40103   3.41377   3.43855
  Beta virt. eigenvalues --    3.47471   3.49631   3.50385   3.50865   3.52719
  Beta virt. eigenvalues --    3.54079   3.54262   3.56030   3.57689   3.59395
  Beta virt. eigenvalues --    3.60879   3.61102   3.64390   3.64479   3.65162
  Beta virt. eigenvalues --    3.68825   3.69586   3.70949   3.72111   3.73930
  Beta virt. eigenvalues --    3.74166   3.76815   3.78617   3.81822   3.83438
  Beta virt. eigenvalues --    3.85848   3.88797   3.96779   3.97913   4.03323
  Beta virt. eigenvalues --    4.08378   4.11937   4.18202   4.21619   4.26731
  Beta virt. eigenvalues --    4.37117   4.41678   4.41960   4.48339   4.49449
  Beta virt. eigenvalues --    4.61535   4.61563   4.64535   4.64729   4.64846
  Beta virt. eigenvalues --    4.65290   4.66131   4.66913   4.67344   4.67471
  Beta virt. eigenvalues --    4.69988   4.70007   4.70993   4.72024   4.72651
  Beta virt. eigenvalues --    4.73478   4.76647   4.76689   4.78487   4.79605
  Beta virt. eigenvalues --    4.82419   4.83682   4.85202   4.85411   4.90667
  Beta virt. eigenvalues --    4.91278   4.93539   4.94063   4.98677   4.98966
  Beta virt. eigenvalues --    5.10126   5.10438   5.56921   5.59769   5.95233
  Beta virt. eigenvalues --    6.16039   6.21767   6.22047   6.23901   6.68869
  Beta virt. eigenvalues --    6.70712
          Condensed to atoms (all electrons):
          Atomic-Atomic Spin Densities.
 Mulliken charges and spin densities:
               1          2
     1  C    1.031304  -0.000271
     2  C    1.883055  -0.001048
     3  C    0.831398   0.001617
     4  C   -0.725191  -0.023122
     5  C   -0.624508   0.014200
     6  C    1.532615  -0.001233
     7  C   -4.026637  -0.000160
     8  O   -0.540336   0.087344
     9  Cu   0.829712   0.656104
    10  O   -0.602458   0.087660
    11  C   -0.054791  -0.005753
    12  C    1.758112   0.010710
    13  F   -0.497818   0.000417
    14  C    1.549594   0.000279
    15  C    1.981512   0.000717
    16  C    1.790892  -0.000659
    17  O   -0.540570   0.087369
    18  C   -0.724614  -0.023093
    19  C   -0.623123   0.014189
    20  C   -4.027603  -0.000154
    21  C    1.883279  -0.001045
    22  C    0.831530   0.001626
    23  C    1.031478  -0.000272
    24  C    1.533034  -0.001228
    25  C    1.791615  -0.000661
    26  C    1.980337   0.000718
    27  C    1.548944   0.000284
    28  C   -0.054540  -0.005752
    29  C    1.757732   0.010707
    30  F   -0.497840   0.000415
    31  O   -0.603169   0.087613
    32  F   -0.521355   0.000495
    33  F   -0.516876  -0.000282
    34  F   -0.516874  -0.000281
    35  F   -0.521376   0.000494
    36  H   -0.469030   0.000058
    37  H   -0.537073   0.000332
    38  H   -0.459306  -0.000038
    39  H   -0.559067  -0.000020
    40  H   -1.091817   0.000299
    41  H   -0.198188   0.000230
    42  H   -0.229723  -0.000109
    43  H   -0.215519  -0.000011
    44  H   -0.323361  -0.000036
    45  H   -0.148704   0.000130
    46  H   -0.148987  -0.000020
    47  H   -0.094935  -0.000187
    48  H   -0.181497  -0.000077
    49  H   -0.006227   0.000477
    50  H   -0.229562  -0.000109
    51  H   -0.198483   0.000230
    52  H   -0.215600  -0.000011
    53  H   -0.148469  -0.000020
    54  H   -0.149081   0.000130
    55  H   -0.323506  -0.000035
    56  H   -0.459030  -0.000038
    57  H   -0.559002  -0.000019
    58  H   -0.536834   0.000332
    59  H   -0.468702   0.000057
    60  H   -1.091647   0.000299
    61  H   -0.181385  -0.000077
    62  H   -0.094779  -0.000187
    63  H   -0.006946   0.000476
 Sum of Mulliken charges =  -0.00000   1.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  C    0.013271  -0.000329
     2  C    0.791408  -0.000749
     3  C    0.831398   0.001617
     4  C   -0.725191  -0.023122
     5  C   -0.624508   0.014200
     6  C    0.527079  -0.000844
     7  C   -4.026637  -0.000160
     8  O   -0.540336   0.087344
     9  Cu   0.829712   0.656104
    10  O   -0.602458   0.087660
    11  C   -0.054791  -0.005753
    12  C    1.758112   0.010710
    13  F   -0.497818   0.000417
    14  C    1.266484   0.000491
    15  C    1.360455   0.000791
    16  C    1.147246  -0.000549
    17  O   -0.540570   0.087369
    18  C   -0.724614  -0.023093
    19  C   -0.623123   0.014189
    20  C   -4.027603  -0.000154
    21  C    0.791462  -0.000746
    22  C    0.831530   0.001626
    23  C    0.013105  -0.000329
    24  C    0.526931  -0.000837
    25  C    1.148184  -0.000551
    26  C    1.359284   0.000792
    27  C    1.266285   0.000497
    28  C   -0.054540  -0.005752
    29  C    1.757732   0.010707
    30  F   -0.497840   0.000415
    31  O   -0.603169   0.087613
    32  F   -0.521355   0.000495
    33  F   -0.516876  -0.000282
    34  F   -0.516874  -0.000281
    35  F   -0.521376   0.000494
 Electronic spatial extent (au):  <R**2>=          19800.1644
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0017    Y=             -0.0015    Z=              0.7402  Tot=              0.7402
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -183.7650   YY=           -225.0297   ZZ=           -207.2372
   XY=             21.4843   XZ=              0.0059   YZ=              0.0013
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             21.5790   YY=            -19.6857   ZZ=             -1.8932
   XY=             21.4843   XZ=              0.0059   YZ=              0.0013
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0486  YYY=              0.0079  ZZZ=            -25.0963  XYY=              0.0018
  XXY=             -0.0033  XXZ=              6.0363  XZZ=             -0.0043  YZZ=              0.0078
  YYZ=              0.5452  XYZ=             -6.3828
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -18062.6122 YYYY=          -5276.9255 ZZZZ=          -1547.1192 XXXY=            -77.9511
 XXXZ=              0.0964 YYYX=           -208.9074 YYYZ=              0.0074 ZZZX=             -0.0034
 ZZZY=             -0.0194 XXYY=          -4028.6112 XXZZ=          -3387.9588 YYZZ=          -1116.1649
 XXYZ=             -0.0277 YYXZ=              0.0131 ZZXY=           -105.9349
 N-N= 4.927408391815D+03 E-N=-1.807401484594D+04  KE= 3.459372105056D+03
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  C(13)             -0.00010      -0.10733      -0.03830      -0.03580
     2  C(13)             -0.00031      -0.35264      -0.12583      -0.11763
     3  C(13)             -0.00073      -0.81579      -0.29109      -0.27212
     4  C(13)             -0.00282      -3.16549      -1.12953      -1.05589
     5  C(13)              0.00621       6.98509       2.49246       2.32998
     6  C(13)             -0.00050      -0.56722      -0.20240      -0.18920
     7  C(13)             -0.00023      -0.25910      -0.09245      -0.08643
     8  O(17)              0.06929     -42.00114     -14.98705     -14.01007
     9  Cu(63)            -0.02798     -33.18725     -11.84204     -11.07007
    10  O(17)              0.07023     -42.57464     -15.19169     -14.20137
    11  C(13)              0.00138       1.54578       0.55157       0.51562
    12  C(13)              0.01207      13.56911       4.84180       4.52617
    13  F(19)              0.00065       2.73662       0.97650       0.91284
    14  C(13)             -0.00029      -0.32921      -0.11747      -0.10981
    15  C(13)              0.00027       0.29875       0.10660       0.09965
    16  C(13)              0.00000       0.00126       0.00045       0.00042
    17  O(17)              0.06931     -42.01568     -14.99224     -14.01492
    18  C(13)             -0.00282      -3.16712      -1.13011      -1.05644
    19  C(13)              0.00621       6.98637       2.49291       2.33040
    20  C(13)             -0.00023      -0.25988      -0.09273      -0.08669
    21  C(13)             -0.00031      -0.35249      -0.12578      -0.11758
    22  C(13)             -0.00073      -0.81567      -0.29105      -0.27208
    23  C(13)             -0.00010      -0.10757      -0.03838      -0.03588
    24  C(13)             -0.00050      -0.56617      -0.20202      -0.18885
    25  C(13)              0.00000       0.00123       0.00044       0.00041
    26  C(13)              0.00027       0.29886       0.10664       0.09969
    27  C(13)             -0.00029      -0.32913      -0.11744      -0.10979
    28  C(13)              0.00138       1.54950       0.55290       0.51686
    29  C(13)              0.01207      13.56524       4.84042       4.52488
    30  F(19)              0.00065       2.72626       0.97280       0.90938
    31  O(17)              0.07022     -42.56811     -15.18936     -14.19919
    32  F(19)              0.00095       3.99278       1.42472       1.33185
    33  F(19)             -0.00016      -0.67119      -0.23950      -0.22389
    34  F(19)             -0.00016      -0.67146      -0.23959      -0.22397
    35  F(19)              0.00095       3.98523       1.42203       1.32933
    36  H(1)               0.00009       0.38383       0.13696       0.12803
    37  H(1)               0.00004       0.16845       0.06011       0.05619
    38  H(1)              -0.00000      -0.01826      -0.00652      -0.00609
    39  H(1)              -0.00001      -0.02583      -0.00922      -0.00862
    40  H(1)               0.00004       0.17451       0.06227       0.05821
    41  H(1)              -0.00001      -0.02795      -0.00997      -0.00932
    42  H(1)               0.00000       0.00052       0.00019       0.00017
    43  H(1)              -0.00000      -0.01220      -0.00435      -0.00407
    44  H(1)              -0.00000      -0.01527      -0.00545      -0.00509
    45  H(1)               0.00004       0.19323       0.06895       0.06445
    46  H(1)              -0.00000      -0.00921      -0.00329      -0.00307
    47  H(1)               0.00000       0.01972       0.00704       0.00658
    48  H(1)               0.00002       0.08623       0.03077       0.02876
    49  H(1)               0.00001       0.04214       0.01504       0.01406
    50  H(1)               0.00000       0.00068       0.00024       0.00023
    51  H(1)              -0.00001      -0.02806      -0.01001      -0.00936
    52  H(1)              -0.00000      -0.01228      -0.00438      -0.00410
    53  H(1)              -0.00000      -0.00917      -0.00327      -0.00306
    54  H(1)               0.00004       0.19355       0.06906       0.06456
    55  H(1)              -0.00000      -0.01528      -0.00545      -0.00510
    56  H(1)              -0.00000      -0.01835      -0.00655      -0.00612
    57  H(1)              -0.00001      -0.02582      -0.00921      -0.00861
    58  H(1)               0.00004       0.16845       0.06011       0.05619
    59  H(1)               0.00009       0.38187       0.13626       0.12738
    60  H(1)               0.00004       0.17489       0.06240       0.05834
    61  H(1)               0.00002       0.08657       0.03089       0.02888
    62  H(1)               0.00000       0.01966       0.00702       0.00656
    63  H(1)               0.00001       0.04199       0.01498       0.01401
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom        0.001738     -0.000909     -0.000829
     2   Atom        0.002308     -0.000975     -0.001333
     3   Atom        0.004228      0.006636     -0.010863
     4   Atom        0.021249     -0.004669     -0.016580
     5   Atom        0.012907     -0.003456     -0.009451
     6   Atom        0.001571     -0.000736     -0.000835
     7   Atom        0.002251     -0.000922     -0.001329
     8   Atom       -0.007039      0.147409     -0.140370
     9   Atom        1.953236      1.999095     -3.952331
    10   Atom       -0.101527      0.228732     -0.127206
    11   Atom        0.016334     -0.003322     -0.013012
    12   Atom       -0.002105      0.010516     -0.008411
    13   Atom       -0.000681      0.004213     -0.003532
    14   Atom        0.000873      0.000588     -0.001461
    15   Atom        0.001377     -0.000659     -0.000718
    16   Atom        0.001128     -0.001019     -0.000110
    17   Atom       -0.007245      0.147608     -0.140363
    18   Atom        0.021255     -0.004663     -0.016592
    19   Atom        0.012896     -0.003441     -0.009455
    20   Atom        0.002251     -0.000923     -0.001328
    21   Atom        0.002307     -0.000975     -0.001332
    22   Atom        0.004229      0.006635     -0.010864
    23   Atom        0.001738     -0.000910     -0.000829
    24   Atom        0.001570     -0.000737     -0.000833
    25   Atom        0.001128     -0.001017     -0.000111
    26   Atom        0.001377     -0.000659     -0.000718
    27   Atom        0.000872      0.000588     -0.001461
    28   Atom        0.016334     -0.003331     -0.013003
    29   Atom       -0.002098      0.010507     -0.008409
    30   Atom       -0.000677      0.004202     -0.003525
    31   Atom       -0.101322      0.228430     -0.127108
    32   Atom        0.000669      0.002132     -0.002801
    33   Atom       -0.000014      0.001904     -0.001890
    34   Atom       -0.000015      0.001905     -0.001889
    35   Atom        0.000662      0.002137     -0.002799
    36   Atom        0.000898     -0.000360     -0.000538
    37   Atom        0.001132     -0.000747     -0.000384
    38   Atom        0.001045     -0.000551     -0.000494
    39   Atom        0.001400     -0.000967     -0.000434
    40   Atom        0.001784     -0.000752     -0.001032
    41   Atom        0.001360     -0.001670      0.000310
    42   Atom        0.000611     -0.000704      0.000094
    43   Atom        0.000817     -0.000683     -0.000134
    44   Atom        0.000912     -0.000407     -0.000504
    45   Atom        0.000766     -0.000379     -0.000387
    46   Atom        0.000675     -0.000309     -0.000366
    47   Atom       -0.000020      0.001919     -0.001899
    48   Atom        0.000446      0.000359     -0.000805
    49   Atom        0.000233      0.000368     -0.000601
    50   Atom        0.000610     -0.000706      0.000095
    51   Atom        0.001362     -0.001673      0.000311
    52   Atom        0.000816     -0.000683     -0.000132
    53   Atom        0.000675     -0.000309     -0.000366
    54   Atom        0.000766     -0.000379     -0.000387
    55   Atom        0.000912     -0.000408     -0.000504
    56   Atom        0.001045     -0.000551     -0.000494
    57   Atom        0.001400     -0.000965     -0.000435
    58   Atom        0.001133     -0.000749     -0.000384
    59   Atom        0.000899     -0.000361     -0.000538
    60   Atom        0.001784     -0.000752     -0.001032
    61   Atom        0.000447      0.000358     -0.000805
    62   Atom       -0.000018      0.001915     -0.001897
    63   Atom        0.000234      0.000369     -0.000603
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000194     -0.000872      0.000024
     2   Atom       -0.000430     -0.000062      0.000030
     3   Atom       -0.001684      0.000192     -0.000548
     4   Atom        0.001657      0.001110      0.001347
     5   Atom        0.011010      0.000708      0.000446
     6   Atom        0.001147     -0.000870     -0.000375
     7   Atom       -0.000011      0.000948     -0.000040
     8   Atom        0.237712      0.053723      0.074722
     9   Atom       -0.020544     -0.004292     -0.001013
    10   Atom       -0.161200     -0.033896      0.084496
    11   Atom       -0.005661     -0.000733      0.001034
    12   Atom       -0.009696     -0.001000      0.002043
    13   Atom       -0.004593      0.001379     -0.002551
    14   Atom        0.002125      0.000669      0.000624
    15   Atom        0.000458      0.000389      0.000085
    16   Atom        0.000196      0.001449      0.000069
    17   Atom        0.237715     -0.053874     -0.074912
    18   Atom        0.001670     -0.001076     -0.001330
    19   Atom        0.011025     -0.000684     -0.000434
    20   Atom       -0.000008     -0.000945      0.000039
    21   Atom       -0.000429      0.000063     -0.000030
    22   Atom       -0.001689     -0.000193      0.000543
    23   Atom        0.000196      0.000873     -0.000023
    24   Atom        0.001149      0.000873      0.000377
    25   Atom        0.000196     -0.001447     -0.000069
    26   Atom        0.000459     -0.000387     -0.000085
    27   Atom        0.002125     -0.000670     -0.000625
    28   Atom       -0.005653      0.000744     -0.001047
    29   Atom       -0.009699      0.001000     -0.002043
    30   Atom       -0.004583     -0.001375      0.002543
    31   Atom       -0.161299      0.033926     -0.084514
    32   Atom       -0.006081      0.003361     -0.004280
    33   Atom       -0.002731      0.000598     -0.000624
    34   Atom       -0.002731     -0.000597      0.000626
    35   Atom       -0.006072     -0.003353      0.004275
    36   Atom        0.000843      0.000537      0.000265
    37   Atom        0.001461      0.001678      0.000859
    38   Atom        0.000110      0.000447      0.000003
    39   Atom       -0.000037      0.001292     -0.000043
    40   Atom       -0.000488     -0.000168     -0.000024
    41   Atom        0.000081     -0.002627      0.000018
    42   Atom        0.000444     -0.001136     -0.000316
    43   Atom       -0.000070     -0.000969      0.000062
    44   Atom        0.000349     -0.000005      0.000013
    45   Atom        0.000092     -0.000293     -0.000007
    46   Atom        0.000428     -0.000403     -0.000161
    47   Atom        0.002301     -0.000125     -0.000156
    48   Atom        0.001129     -0.000287     -0.000307
    49   Atom        0.001717     -0.001178     -0.001397
    50   Atom        0.000445      0.001139      0.000317
    51   Atom        0.000080      0.002631     -0.000019
    52   Atom       -0.000070      0.000970     -0.000062
    53   Atom        0.000428      0.000403      0.000161
    54   Atom        0.000092      0.000294      0.000007
    55   Atom        0.000348      0.000006     -0.000012
    56   Atom        0.000109     -0.000446     -0.000002
    57   Atom       -0.000039     -0.001290      0.000044
    58   Atom        0.001458     -0.001676     -0.000856
    59   Atom        0.000842     -0.000536     -0.000264
    60   Atom       -0.000489      0.000170      0.000023
    61   Atom        0.001129      0.000287      0.000307
    62   Atom        0.002301      0.000124      0.000153
    63   Atom        0.001718      0.001178      0.001397
 --------------------------------------------------------


 ---------------------------------------------------------------------------------
              Anisotropic Spin Dipole Couplings in Principal Axis System
 ---------------------------------------------------------------------------------

       Atom             a.u.   MegaHertz   Gauss  10(-4) cm-1        Axes

              Baa    -0.0011    -0.151    -0.054    -0.050  0.2938 -0.3579  0.8864
     1 C(13)  Bbb    -0.0009    -0.119    -0.043    -0.040  0.0505  0.9318  0.3595
              Bcc     0.0020     0.271     0.097     0.090  0.9545  0.0609 -0.2918
 
              Baa    -0.0013    -0.179    -0.064    -0.060  0.0083 -0.0731  0.9973
     2 C(13)  Bbb    -0.0010    -0.138    -0.049    -0.046  0.1289  0.9891  0.0715
              Bcc     0.0024     0.317     0.113     0.106  0.9916 -0.1280 -0.0176
 
              Baa    -0.0109    -1.460    -0.521    -0.487 -0.0093  0.0304  0.9995
     3 C(13)  Bbb     0.0034     0.451     0.161     0.150  0.8896  0.4566 -0.0056
              Bcc     0.0075     1.009     0.360     0.337 -0.4566  0.8891 -0.0313
 
              Baa    -0.0168    -2.248    -0.802    -0.750 -0.0244 -0.1074  0.9939
     4 C(13)  Bbb    -0.0046    -0.623    -0.222    -0.208 -0.0680  0.9921  0.1056
              Bcc     0.0214     2.871     1.024     0.958  0.9974  0.0650  0.0315
 
              Baa    -0.0095    -1.273    -0.454    -0.425  0.0452 -0.1553  0.9868
     5 C(13)  Bbb    -0.0090    -1.205    -0.430    -0.402 -0.4478  0.8799  0.1590
              Bcc     0.0185     2.478     0.884     0.827  0.8930  0.4491  0.0298
 
              Baa    -0.0012    -0.163    -0.058    -0.054 -0.3373  0.9299  0.1470
     6 C(13)  Bbb    -0.0011    -0.150    -0.053    -0.050  0.3208 -0.0333  0.9466
              Bcc     0.0023     0.312     0.111     0.104  0.8851  0.3664 -0.2871
 
              Baa    -0.0016    -0.210    -0.075    -0.070 -0.2404  0.0567  0.9690
     7 C(13)  Bbb    -0.0009    -0.124    -0.044    -0.041  0.0194  0.9984 -0.0536
              Bcc     0.0025     0.334     0.119     0.111  0.9705 -0.0059  0.2412
 
              Baa    -0.1798    13.008     4.641     4.339  0.8066 -0.5907  0.0205
     8 O(17)  Bbb    -0.1581    11.438     4.081     3.815 -0.1279 -0.1406  0.9818
              Bcc     0.3378   -24.446    -8.723    -8.154  0.5771  0.7945  0.1890
 
              Baa    -3.9523  -559.578  -199.671  -186.655  0.0007  0.0002  1.0000
     9 Cu(63) Bbb     1.9454   275.431    98.280    91.874  0.9340  0.3572 -0.0007
              Bcc     2.0070   284.148   101.391    94.781 -0.3572  0.9340  0.0001
 
              Baa    -0.1672    12.097     4.316     4.035  0.9244  0.3809 -0.0214
    10 O(17)  Bbb    -0.1460    10.566     3.770     3.524  0.0965 -0.1792  0.9791
              Bcc     0.3132   -22.662    -8.086    -7.559 -0.3691  0.9071  0.2024
 
              Baa    -0.0131    -1.761    -0.628    -0.587  0.0051 -0.1020  0.9948
    11 C(13)  Bbb    -0.0048    -0.638    -0.228    -0.213  0.2612  0.9604  0.0971
              Bcc     0.0179     2.399     0.856     0.800  0.9653 -0.2593 -0.0316
 
              Baa    -0.0086    -1.158    -0.413    -0.386 -0.0214 -0.1168  0.9929
    12 C(13)  Bbb    -0.0074    -0.987    -0.352    -0.329  0.8801  0.4690  0.0741
              Bcc     0.0160     2.145     0.765     0.716 -0.4743  0.8754  0.0928
 
              Baa    -0.0043    -2.158    -0.770    -0.720 -0.0015  0.2864  0.9581
    13 F(19)  Bbb    -0.0034    -1.718    -0.613    -0.573  0.8684  0.4755 -0.1408
              Bcc     0.0077     3.875     1.383     1.293 -0.4959  0.8318 -0.2494
 
              Baa    -0.0016    -0.221    -0.079    -0.074 -0.1494 -0.1315  0.9800
    14 C(13)  Bbb    -0.0014    -0.188    -0.067    -0.063 -0.6821  0.7313 -0.0058
              Bcc     0.0030     0.409     0.146     0.136  0.7159  0.6693  0.1990
 
              Baa    -0.0008    -0.106    -0.038    -0.035 -0.1557 -0.0984  0.9829
    15 C(13)  Bbb    -0.0008    -0.102    -0.036    -0.034 -0.2204  0.9734  0.0625
              Bcc     0.0015     0.207     0.074     0.069  0.9629  0.2069  0.1733
 
              Baa    -0.0011    -0.148    -0.053    -0.049 -0.4798  0.5775  0.6605
    16 C(13)  Bbb    -0.0010    -0.134    -0.048    -0.045  0.2745  0.8138 -0.5121
              Bcc     0.0021     0.282     0.100     0.094  0.8333  0.0644  0.5490
 
              Baa    -0.1798    13.013     4.643     4.341  0.8071 -0.5901 -0.0185
    17 O(17)  Bbb    -0.1582    11.444     4.083     3.817  0.1264  0.1422  0.9817
              Bcc     0.3380   -24.456    -8.727    -8.158  0.5767  0.7947 -0.1894
 
              Baa    -0.0168    -2.249    -0.802    -0.750  0.0235  0.1061  0.9941
    18 C(13)  Bbb    -0.0046    -0.622    -0.222    -0.208 -0.0683  0.9922 -0.1042
              Bcc     0.0214     2.871     1.025     0.958  0.9974  0.0655 -0.0306
 
              Baa    -0.0095    -1.274    -0.454    -0.425 -0.0459  0.1545  0.9869
    19 C(13)  Bbb    -0.0090    -1.205    -0.430    -0.402 -0.4483  0.8797 -0.1585
              Bcc     0.0185     2.479     0.884     0.827  0.8927  0.4497 -0.0289
 
              Baa    -0.0016    -0.210    -0.075    -0.070  0.2400 -0.0557  0.9692
    20 C(13)  Bbb    -0.0009    -0.124    -0.044    -0.041  0.0182  0.9984  0.0529
              Bcc     0.0025     0.334     0.119     0.111  0.9706 -0.0050 -0.2407
 
              Baa    -0.0013    -0.179    -0.064    -0.060 -0.0084  0.0744  0.9972
    21 C(13)  Bbb    -0.0010    -0.138    -0.049    -0.046  0.1286  0.9890 -0.0727
              Bcc     0.0024     0.317     0.113     0.106  0.9917 -0.1277  0.0179
 
              Baa    -0.0109    -1.460    -0.521    -0.487  0.0094 -0.0301  0.9995
    22 C(13)  Bbb     0.0034     0.451     0.161     0.150  0.8892  0.4574  0.0054
              Bcc     0.0075     1.010     0.360     0.337 -0.4574  0.8887  0.0310
 
              Baa    -0.0011    -0.151    -0.054    -0.051 -0.2944  0.3579  0.8861
    23 C(13)  Bbb    -0.0009    -0.119    -0.043    -0.040  0.0501  0.9317 -0.3597
              Bcc     0.0020     0.271     0.097     0.090  0.9544  0.0615  0.2923
 
              Baa    -0.0012    -0.163    -0.058    -0.054 -0.3391  0.9299 -0.1426
    24 C(13)  Bbb    -0.0011    -0.150    -0.053    -0.050 -0.3199  0.0286  0.9470
              Bcc     0.0023     0.313     0.112     0.104  0.8847  0.3668  0.2878
 
              Baa    -0.0011    -0.148    -0.053    -0.049  0.4800 -0.5761  0.6616
    25 C(13)  Bbb    -0.0010    -0.133    -0.048    -0.045  0.2735  0.8148  0.5111
              Bcc     0.0021     0.281     0.100     0.094  0.8335  0.0645 -0.5487
 
              Baa    -0.0008    -0.106    -0.038    -0.035  0.1550  0.0981  0.9830
    26 C(13)  Bbb    -0.0008    -0.102    -0.036    -0.034 -0.2208  0.9733 -0.0623
              Bcc     0.0015     0.207     0.074     0.069  0.9629  0.2074 -0.1725
 
              Baa    -0.0016    -0.221    -0.079    -0.074  0.1496  0.1317  0.9799
    27 C(13)  Bbb    -0.0014    -0.188    -0.067    -0.063 -0.6822  0.7311  0.0059
              Bcc     0.0030     0.409     0.146     0.136  0.7157  0.6694 -0.1992
 
              Baa    -0.0131    -1.760    -0.628    -0.587 -0.0053  0.1034  0.9946
    28 C(13)  Bbb    -0.0048    -0.639    -0.228    -0.213  0.2609  0.9603 -0.0985
              Bcc     0.0179     2.399     0.856     0.800  0.9654 -0.2589  0.0321
 
              Baa    -0.0086    -1.158    -0.413    -0.386  0.0218  0.1171  0.9929
    29 C(13)  Bbb    -0.0074    -0.987    -0.352    -0.329  0.8799  0.4692 -0.0747
              Bcc     0.0160     2.145     0.765     0.715 -0.4746  0.8753 -0.0928
 
              Baa    -0.0043    -2.153    -0.768    -0.718  0.0018 -0.2861  0.9582
    30 F(19)  Bbb    -0.0034    -1.713    -0.611    -0.571  0.8682  0.4759  0.1404
              Bcc     0.0077     3.866     1.379     1.290 -0.4961  0.8317  0.2492
 
              Baa    -0.1671    12.092     4.315     4.033  0.9240  0.3817  0.0226
    31 O(17)  Bbb    -0.1459    10.560     3.768     3.522 -0.0979  0.1788  0.9790
              Bcc     0.3131   -22.652    -8.083    -7.556 -0.3696  0.9068 -0.2026
 
              Baa    -0.0053    -2.657    -0.948    -0.886  0.1214  0.5686  0.8136
    32 F(19)  Bbb    -0.0046    -2.294    -0.818    -0.765  0.7884  0.4428 -0.4271
              Bcc     0.0099     4.951     1.767     1.651 -0.6031  0.6933 -0.3945
 
              Baa    -0.0021    -1.061    -0.379    -0.354 -0.5642 -0.2620  0.7830
    33 F(19)  Bbb    -0.0019    -0.930    -0.332    -0.310  0.5928  0.5315  0.6050
              Bcc     0.0040     1.991     0.710     0.664 -0.5746  0.8055 -0.1446
 
              Baa    -0.0021    -1.060    -0.378    -0.354  0.5644  0.2619  0.7828
    34 F(19)  Bbb    -0.0019    -0.931    -0.332    -0.311 -0.5928 -0.5314  0.6052
              Bcc     0.0040     1.991     0.710     0.664 -0.5745  0.8056  0.1447
 
              Baa    -0.0053    -2.654    -0.947    -0.885 -0.1212 -0.5681  0.8140
    35 F(19)  Bbb    -0.0046    -2.290    -0.817    -0.764  0.7887  0.4428  0.4265
              Bcc     0.0098     4.944     1.764     1.649 -0.6028  0.6936  0.3944
 
              Baa    -0.0008    -0.418    -0.149    -0.139 -0.4611  0.8858  0.0526
    36 H(1)   Bbb    -0.0007    -0.381    -0.136    -0.127 -0.2274 -0.1753  0.9579
              Bcc     0.0015     0.799     0.285     0.266  0.8577  0.4297  0.2823
 
              Baa    -0.0016    -0.833    -0.297    -0.278 -0.5914  0.7503  0.2955
    37 H(1)   Bbb    -0.0014    -0.759    -0.271    -0.253 -0.2442 -0.5159  0.8211
              Bcc     0.0030     1.592     0.568     0.531  0.7685  0.4134  0.4883
 
              Baa    -0.0006    -0.333    -0.119    -0.111 -0.2632  0.3635  0.8936
    38 H(1)   Bbb    -0.0005    -0.292    -0.104    -0.097  0.0387  0.9295 -0.3667
              Bcc     0.0012     0.625     0.223     0.209  0.9640  0.0619  0.2587
 
              Baa    -0.0011    -0.589    -0.210    -0.197 -0.4512  0.1534  0.8791
    39 H(1)   Bbb    -0.0010    -0.514    -0.184    -0.172  0.0858  0.9880 -0.1283
              Bcc     0.0021     1.104     0.394     0.368  0.8883 -0.0175  0.4590
 
              Baa    -0.0011    -0.563    -0.201    -0.188  0.0974  0.2324  0.9677
    40 H(1)   Bbb    -0.0008    -0.442    -0.158    -0.148  0.1626  0.9556 -0.2458
              Bcc     0.0019     1.005     0.359     0.335  0.9819 -0.1813 -0.0553
 
              Baa    -0.0019    -0.996    -0.355    -0.332  0.6042 -0.3146  0.7321
    41 H(1)   Bbb    -0.0016    -0.880    -0.314    -0.293  0.1922  0.9492  0.2493
              Bcc     0.0035     1.875     0.669     0.625  0.7733  0.0099 -0.6339
 
              Baa    -0.0009    -0.455    -0.162    -0.152 -0.5140  0.7800 -0.3569
    42 H(1)   Bbb    -0.0008    -0.422    -0.151    -0.141  0.3917  0.5836  0.7113
              Bcc     0.0016     0.877     0.313     0.293  0.7631  0.2258 -0.6055
 
              Baa    -0.0007    -0.396    -0.141    -0.132  0.4983 -0.2764  0.8218
    43 H(1)   Bbb    -0.0007    -0.364    -0.130    -0.121  0.1822  0.9601  0.2124
              Bcc     0.0014     0.760     0.271     0.254  0.8476 -0.0439 -0.5288
 
              Baa    -0.0005    -0.274    -0.098    -0.091  0.1374 -0.5491  0.8244
    44 H(1)   Bbb    -0.0005    -0.259    -0.092    -0.086 -0.1980  0.8002  0.5661
              Bcc     0.0010     0.533     0.190     0.178  0.9705  0.2410 -0.0012
 
              Baa    -0.0005    -0.246    -0.088    -0.082  0.2418 -0.1907  0.9514
    45 H(1)   Bbb    -0.0004    -0.204    -0.073    -0.068 -0.0268  0.9788  0.2030
              Bcc     0.0008     0.450     0.161     0.150  0.9700  0.0746 -0.2315
 
              Baa    -0.0005    -0.271    -0.097    -0.091  0.1994  0.3198  0.9263
    46 H(1)   Bbb    -0.0005    -0.249    -0.089    -0.083 -0.4090  0.8861 -0.2179
              Bcc     0.0010     0.520     0.186     0.174  0.8905  0.3354 -0.3075
 
              Baa    -0.0019    -1.018    -0.363    -0.339  0.0628  0.0028  0.9980
    47 H(1)   Bbb    -0.0015    -0.825    -0.295    -0.275  0.8310 -0.5540 -0.0508
              Bcc     0.0035     1.843     0.658     0.615  0.5528  0.8325 -0.0372
 
              Baa    -0.0009    -0.470    -0.168    -0.157  0.0248  0.2190  0.9754
    48 H(1)   Bbb    -0.0007    -0.387    -0.138    -0.129  0.7051 -0.6955  0.1382
              Bcc     0.0016     0.857     0.306     0.286  0.7087  0.6844 -0.1716
 
              Baa    -0.0016    -0.853    -0.304    -0.285 -0.0969  0.6313  0.7695
    49 H(1)   Bbb    -0.0014    -0.724    -0.258    -0.241  0.7883 -0.4233  0.4465
              Bcc     0.0030     1.577     0.563     0.526  0.6076  0.6498 -0.4566
 
              Baa    -0.0009    -0.456    -0.163    -0.152 -0.5133  0.7814  0.3548
    50 H(1)   Bbb    -0.0008    -0.423    -0.151    -0.141 -0.3933 -0.5817  0.7120
              Bcc     0.0016     0.879     0.314     0.293  0.7627  0.2260  0.6059
 
              Baa    -0.0019    -0.997    -0.356    -0.333 -0.6040  0.3153  0.7319
    51 H(1)   Bbb    -0.0017    -0.881    -0.314    -0.294  0.1929  0.9489 -0.2496
              Bcc     0.0035     1.878     0.670     0.626  0.7733  0.0096  0.6340
 
              Baa    -0.0007    -0.396    -0.141    -0.132 -0.4985  0.2782  0.8210
    52 H(1)   Bbb    -0.0007    -0.364    -0.130    -0.122  0.1832  0.9595 -0.2139
              Bcc     0.0014     0.760     0.271     0.254  0.8473 -0.0438  0.5293
 
              Baa    -0.0005    -0.271    -0.097    -0.091 -0.2000 -0.3196  0.9262
    53 H(1)   Bbb    -0.0005    -0.249    -0.089    -0.083 -0.4088  0.8863  0.2176
              Bcc     0.0010     0.521     0.186     0.174  0.8904  0.3351  0.3079
 
              Baa    -0.0005    -0.246    -0.088    -0.082 -0.2424  0.1917  0.9510
    54 H(1)   Bbb    -0.0004    -0.204    -0.073    -0.068 -0.0260  0.9786 -0.2039
              Bcc     0.0008     0.450     0.161     0.150  0.9698  0.0742  0.2323
 
              Baa    -0.0005    -0.274    -0.098    -0.091 -0.1375  0.5490  0.8244
    55 H(1)   Bbb    -0.0005    -0.259    -0.092    -0.086 -0.1972  0.8005 -0.5660
              Bcc     0.0010     0.532     0.190     0.178  0.9707  0.2404  0.0018
 
              Baa    -0.0006    -0.333    -0.119    -0.111  0.2624 -0.3633  0.8939
    56 H(1)   Bbb    -0.0005    -0.292    -0.104    -0.097  0.0389  0.9296  0.3664
              Bcc     0.0012     0.625     0.223     0.209  0.9642  0.0614 -0.2581
 
              Baa    -0.0011    -0.589    -0.210    -0.196  0.4507 -0.1532  0.8794
    57 H(1)   Bbb    -0.0010    -0.514    -0.183    -0.171  0.0861  0.9880  0.1280
              Bcc     0.0021     1.103     0.393     0.368  0.8885 -0.0180 -0.4585
 
              Baa    -0.0016    -0.832    -0.297    -0.277 -0.5917  0.7487 -0.2990
    58 H(1)   Bbb    -0.0014    -0.758    -0.271    -0.253  0.2421  0.5188  0.8199
              Bcc     0.0030     1.590     0.567     0.530  0.7690  0.4127 -0.4882
 
              Baa    -0.0008    -0.418    -0.149    -0.139 -0.4602  0.8863 -0.0520
    59 H(1)   Bbb    -0.0007    -0.381    -0.136    -0.127  0.2276  0.1745  0.9580
              Bcc     0.0015     0.798     0.285     0.266  0.8581  0.4290 -0.2820
 
              Baa    -0.0011    -0.563    -0.201    -0.188 -0.0980 -0.2321  0.9677
    60 H(1)   Bbb    -0.0008    -0.442    -0.158    -0.148  0.1629  0.9556  0.2457
              Bcc     0.0019     1.005     0.359     0.335  0.9818 -0.1817  0.0558
 
              Baa    -0.0009    -0.470    -0.168    -0.157 -0.0251 -0.2186  0.9755
    61 H(1)   Bbb    -0.0007    -0.387    -0.138    -0.129  0.7048 -0.6959 -0.1378
              Bcc     0.0016     0.857     0.306     0.286  0.7090  0.6841  0.1716
 
              Baa    -0.0019    -1.017    -0.363    -0.339 -0.0626 -0.0022  0.9980
    62 H(1)   Bbb    -0.0015    -0.825    -0.294    -0.275  0.8307 -0.5544  0.0509
              Bcc     0.0035     1.841     0.657     0.614  0.5532  0.8322  0.0366
 
              Baa    -0.0016    -0.853    -0.305    -0.285  0.0968 -0.6309  0.7698
    63 H(1)   Bbb    -0.0014    -0.724    -0.258    -0.241  0.7882 -0.4237 -0.4463
              Bcc     0.0030     1.577     0.563     0.526  0.6077  0.6500  0.4563
 

 ---------------------------------------------------------------------------------

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Aug 29 15:18:43 2021, MaxMem=  7516192768 cpu:              17.5 elap:               2.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.14305810D-04-5.78048231D-04 2.81598286D-01
 Polarizability= 4.22616738D+02 2.95663908D+01 3.16039506D+02
                 8.19782730D-04-1.59480021D-03 2.42463211D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0006    0.0000       -0.0017   -0.0016       17.1352   17.1321
 2     -0.0017    0.0016        0.0005    0.0011      -49.7266  -49.7193
 3    -17.1336  -17.1321       93.1351   93.1267       -0.0010   -0.0011
 4     -0.0012   -0.0011        0.0001    0.0000      -17.1284  -17.1321
 5    -43.4093  -43.4074       17.1293   17.1321       -0.0021   -0.0016
 6     -0.0004    0.0011        0.0031    0.0016       -0.0001    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0049    0.0049       51.3962   51.3962
 2     -0.0032   -0.0032       -0.0000    0.0000       51.3963   51.3962
 3     -0.0032   -0.0032        0.0049    0.0049        0.0000    0.0000
 4      0.0050    0.0049        0.0032    0.0032     -149.1580 -149.1580
 5    -51.3963  -51.3962      279.3801  279.3801       -0.0032   -0.0032
 6   -130.2221 -130.2221       51.3961   51.3962       -0.0049   -0.0049
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0265    0.0000       -0.0222    0.0066      -66.3231  -68.5283
 2      0.0272   -0.0066       -0.1846   -0.0043      200.7239  198.8773
 3     68.6619   68.5283     -374.9142 -372.5068        0.1429    0.0043
 4      0.0152    0.0043       -0.0850    0.0000       69.1952   68.5283
 5    174.4873  173.6295      -69.5852  -68.5283        0.1333    0.0066
 6     -0.0134   -0.0043       -0.1949   -0.0066        0.8762    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0218    0.0000        0.6984    0.6805      -91.5561  -96.0943
 2     -0.8767   -0.6805       -0.2636    0.0336     -136.7047 -110.6547
 3    109.6411   96.0943      -80.5060  -85.4349       -1.6540   -0.0336
 4     -0.0831   -0.0336       -0.7392    0.0000       98.3160   96.0943
 5    185.6289  196.0895     -115.6051  -96.0943        1.0575    0.6805
 6      0.0348    0.0336        0.1568   -0.6805       -9.3035    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0926   -0.0880       -0.0005   -0.0852       91.8653   90.6225
 2     -0.1583   -0.1213       -1.2862   -0.0668       99.5477   90.6225
 3     -0.1482   -0.1213       -1.3272   -0.0852      115.8234  105.7439
 4      0.0289   -0.0184       -0.2475    0.0333     -110.7048 -110.5587
 5     16.6236   15.1215     -112.4790 -123.1300       -0.8190   -0.0333
 6    215.4364  233.6887      -38.2647  -15.1215        0.6223    0.0184
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.7416   -1.2531   -0.0041   -0.0028    0.0006    1.8250
 Low frequencies ---    7.7818   13.3987   28.8642
 Diagonal vibrational polarizability:
       80.1589347      46.6817003     340.2740556
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --      7.7785                13.3975                28.8604
 Red. masses --      6.1932                 6.0322                11.8290
 Frc consts  --      0.0002                 0.0006                 0.0058
 IR Inten    --      0.6721                 0.1011                 0.0797
 RamAct Fr= 1--      0.1592                 0.1252                 0.0298
  Dep-P Fr= 1--      0.6750                 0.5973                 0.7499
  Dep-U Fr= 1--      0.8060                 0.7479                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0004                 0.0000
 Beta2  Fr= 1--      0.0214                 0.0156                 0.0043
 AlphaG Fr= 1--     -0.0004                -0.0044                 0.0000
 Gamma2 Fr= 1--     -1.2901                -0.9989                -0.6526
 Delta2 Fr= 1--     -0.6539                -0.0537                 0.0140
 Raman1 Fr= 1--       0.637                  0.501                  0.119
 ROA1   Fr= 1--    -144.776                -97.608                -62.204
 CID1   Fr= 1--    -227.353               -194.905               -522.381
 Raman2 Fr= 1--       0.257                  0.187                  0.051
 ROA2   Fr= 1--     -25.731                -23.543                -15.775
 CID2   Fr= 1--    -100.266               -125.721               -309.151
 Raman3 Fr= 1--       0.513                  0.375                  0.102
 ROA3   Fr= 1--    -144.776                -97.608                -62.204
 CID3   Fr= 1--    -282.075               -260.610               -609.504
 RC180  Fr= 1--       0.612                  0.496                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.06    -0.08   0.05  -0.09    -0.07   0.07  -0.01
     2   6     0.00  -0.00  -0.03     0.00   0.01  -0.08    -0.01   0.03  -0.02
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.03
     4   6     0.00   0.00  -0.04     0.00  -0.00   0.06    -0.02  -0.01   0.07
     5   6     0.01   0.01  -0.10     0.01   0.00   0.02    -0.04   0.01   0.07
     6   6    -0.02  -0.05  -0.11    -0.08   0.04  -0.01    -0.08   0.06   0.05
     7   6     0.02   0.04  -0.08     0.06  -0.01  -0.06     0.01   0.00   0.01
     8   8     0.00   0.00  -0.04     0.00  -0.01   0.13    -0.03  -0.03   0.09
     9  29    -0.00  -0.00   0.02    -0.00   0.00   0.12    -0.01  -0.04   0.00
    10   8    -0.00  -0.01   0.08    -0.00  -0.00   0.09     0.01  -0.03   0.06
    11   6    -0.00  -0.01   0.06    -0.00   0.00   0.02     0.01  -0.01   0.05
    12   6    -0.01  -0.02   0.11    -0.01   0.01  -0.04     0.04   0.00   0.03
    13   9     0.02   0.04   0.12     0.08   0.00  -0.09     0.29   0.12  -0.07
    14   6     0.02   0.03  -0.16     0.03  -0.02   0.08    -0.04  -0.02   0.12
    15   6     0.02   0.05  -0.13     0.06  -0.01  -0.13    -0.00   0.02  -0.02
    16   6     0.04   0.10  -0.06     0.14  -0.05  -0.04     0.06  -0.04   0.01
    17   8    -0.00  -0.00  -0.04    -0.00   0.01   0.13    -0.03  -0.03  -0.09
    18   6    -0.00  -0.00  -0.04    -0.00   0.00   0.06    -0.02  -0.01  -0.07
    19   6    -0.01  -0.01  -0.10    -0.01  -0.00   0.02    -0.04   0.00  -0.07
    20   6    -0.02  -0.04  -0.08    -0.06   0.01  -0.06     0.00   0.00  -0.01
    21   6    -0.00   0.00  -0.03    -0.00  -0.01  -0.08    -0.01   0.03   0.02
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.03
    23   6     0.02   0.06  -0.06     0.08  -0.05  -0.09    -0.07   0.07   0.01
    24   6     0.02   0.05  -0.11     0.08  -0.04  -0.01    -0.08   0.06  -0.05
    25   6    -0.04  -0.10  -0.06    -0.14   0.05  -0.04     0.06  -0.04  -0.01
    26   6    -0.02  -0.05  -0.13    -0.06   0.01  -0.13    -0.00   0.02   0.02
    27   6    -0.02  -0.03  -0.16    -0.03   0.02   0.08    -0.04  -0.02  -0.12
    28   6     0.00   0.01   0.06     0.00  -0.00   0.02     0.01  -0.01  -0.05
    29   6     0.01   0.02   0.11     0.01  -0.01  -0.04     0.04   0.00  -0.03
    30   9    -0.02  -0.04   0.12    -0.08  -0.00  -0.09     0.29   0.12   0.08
    31   8     0.00   0.01   0.08     0.00   0.00   0.09     0.01  -0.03  -0.06
    32   9     0.02   0.07   0.09     0.08  -0.03  -0.11    -0.17  -0.02   0.16
    33   9     0.01   0.03   0.18     0.02  -0.01   0.01     0.03  -0.06  -0.29
    34   9    -0.01  -0.03   0.18    -0.02   0.01   0.01     0.03  -0.06   0.29
    35   9    -0.02  -0.07   0.09    -0.08   0.03  -0.11    -0.17  -0.02  -0.16
    36   1     0.02   0.06  -0.16     0.09  -0.04  -0.04    -0.09   0.07  -0.05
    37   1     0.03   0.09  -0.11     0.12  -0.05   0.04    -0.11   0.07  -0.08
    38   1     0.02   0.07  -0.09     0.09  -0.05  -0.15    -0.07   0.09   0.05
    39   1     0.03   0.10  -0.03     0.13  -0.06  -0.08    -0.09   0.08   0.01
    40   1    -0.01  -0.01   0.00    -0.02  -0.01  -0.14     0.01   0.03   0.06
    41   1    -0.04  -0.10  -0.02    -0.14   0.06   0.01     0.06  -0.06  -0.04
    42   1    -0.06  -0.13  -0.10    -0.18   0.07  -0.02     0.07  -0.06  -0.04
    43   1    -0.05  -0.12  -0.04    -0.17   0.06  -0.10     0.08  -0.04   0.03
    44   1    -0.01  -0.00  -0.15    -0.00  -0.01  -0.15    -0.04   0.05   0.03
    45   1    -0.03  -0.06  -0.11    -0.08   0.02  -0.19     0.02   0.03   0.06
    46   1    -0.03  -0.08  -0.17    -0.09   0.03  -0.11     0.01   0.01   0.01
    47   1    -0.01  -0.01  -0.17     0.01   0.00   0.13    -0.08  -0.02  -0.15
    48   1    -0.02  -0.03  -0.20    -0.03   0.01   0.04    -0.06  -0.00  -0.10
    49   1    -0.03  -0.08  -0.15    -0.09   0.04   0.10    -0.01  -0.05  -0.13
    50   1     0.06   0.13  -0.10     0.18  -0.07  -0.02     0.07  -0.06   0.04
    51   1     0.04   0.10  -0.02     0.14  -0.06   0.01     0.07  -0.06   0.04
    52   1     0.05   0.12  -0.04     0.17  -0.06  -0.10     0.08  -0.04  -0.03
    53   1     0.03   0.08  -0.17     0.09  -0.03  -0.11     0.01   0.01  -0.01
    54   1     0.03   0.06  -0.11     0.08  -0.02  -0.19     0.02   0.03  -0.06
    55   1     0.01   0.00  -0.15     0.00   0.01  -0.15    -0.04   0.05  -0.03
    56   1    -0.02  -0.07  -0.09    -0.09   0.05  -0.15    -0.07   0.09  -0.05
    57   1    -0.03  -0.10  -0.03    -0.13   0.06  -0.08    -0.09   0.09  -0.01
    58   1    -0.03  -0.09  -0.11    -0.12   0.06   0.04    -0.11   0.07   0.08
    59   1    -0.02  -0.06  -0.16    -0.09   0.04  -0.04    -0.10   0.07   0.05
    60   1     0.01   0.01   0.00     0.02   0.01  -0.14     0.01   0.03  -0.06
    61   1     0.02   0.03  -0.20     0.03  -0.01   0.04    -0.06  -0.00   0.10
    62   1     0.01   0.01  -0.17    -0.01  -0.00   0.13    -0.08  -0.02   0.15
    63   1     0.03   0.08  -0.15     0.09  -0.04   0.10    -0.01  -0.05   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --     33.5900                40.2188                45.9201
 Red. masses --     13.4858                 6.6848                 5.0011
 Frc consts  --      0.0090                 0.0064                 0.0062
 IR Inten    --      0.2241                 0.6083                 0.1682
 RamAct Fr= 1--      0.0364                 0.0443                 0.0767
  Dep-P Fr= 1--      0.5772                 0.7497                 0.7500
  Dep-U Fr= 1--      0.7319                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0044                 0.0063                 0.0110
 AlphaG Fr= 1--     -0.0020                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.4419                 2.6095                -0.3451
 Delta2 Fr= 1--     -0.0242                 0.0214                -0.0467
 Raman1 Fr= 1--       0.146                  0.177                  0.307
 ROA1   Fr= 1--     -43.196                251.201                -34.629
 CID1   Fr= 1--    -296.799               1417.629               -112.876
 Raman2 Fr= 1--       0.053                  0.076                  0.131
 ROA2   Fr= 1--     -10.412                 62.457                 -7.910
 CID2   Fr= 1--    -195.489                822.606                -60.160
 Raman3 Fr= 1--       0.107                  0.152                  0.263
 ROA3   Fr= 1--     -43.196                251.201                -34.629
 CID3   Fr= 1--    -405.503               1654.251               -131.690
 RC180  Fr= 1--       0.464                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.06     0.08  -0.10   0.05     0.04  -0.05   0.07
     2   6    -0.00  -0.02   0.05     0.00  -0.06   0.05    -0.00   0.01   0.08
     3   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.03
     4   6    -0.00  -0.01  -0.03     0.04   0.02  -0.04    -0.02  -0.01  -0.03
     5   6    -0.00  -0.01   0.02     0.08  -0.02  -0.02    -0.03   0.01  -0.05
     6   6     0.05  -0.01   0.05     0.13  -0.07   0.00     0.02  -0.06  -0.02
     7   6    -0.03  -0.02   0.06     0.01  -0.05   0.03    -0.05   0.05   0.04
     8   8    -0.00  -0.00  -0.07     0.05   0.07  -0.07    -0.02  -0.03  -0.07
     9  29    -0.00  -0.00  -0.08     0.01   0.09  -0.00    -0.00  -0.05   0.00
    10   8     0.00  -0.01  -0.06    -0.03   0.07  -0.05     0.02  -0.04  -0.03
    11   6    -0.00  -0.01  -0.01    -0.03   0.03  -0.02     0.02  -0.02  -0.00
    12   6     0.02  -0.00   0.00    -0.08   0.00  -0.02     0.05   0.00  -0.05
    13   9     0.29   0.14  -0.11     0.00   0.02  -0.06     0.10  -0.01  -0.09
    14   6    -0.02  -0.01   0.02     0.11   0.00  -0.06    -0.07   0.03  -0.13
    15   6    -0.03  -0.03   0.11     0.03  -0.10   0.08    -0.07   0.08   0.06
    16   6    -0.09  -0.02   0.04    -0.06  -0.01   0.02    -0.11   0.12   0.04
    17   8     0.00  -0.00  -0.07     0.05   0.07   0.07    -0.02  -0.03   0.07
    18   6     0.00   0.01  -0.03     0.04   0.02   0.04    -0.02  -0.01   0.03
    19   6     0.00   0.01   0.02     0.08  -0.02   0.02    -0.03   0.01   0.05
    20   6     0.03   0.02   0.06     0.01  -0.05  -0.03    -0.05   0.05  -0.04
    21   6     0.00   0.02   0.05     0.00  -0.06  -0.05    -0.00   0.01  -0.08
    22   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.03
    23   6    -0.05   0.01   0.06     0.08  -0.10  -0.05     0.04  -0.05  -0.07
    24   6    -0.05   0.01   0.04     0.13  -0.07  -0.00     0.02  -0.06   0.02
    25   6     0.09   0.02   0.04    -0.06  -0.01  -0.02    -0.11   0.12  -0.04
    26   6     0.03   0.03   0.11     0.03  -0.10  -0.08    -0.07   0.08  -0.06
    27   6     0.02   0.01   0.02     0.11   0.00   0.06    -0.07   0.03   0.13
    28   6     0.00   0.01  -0.01    -0.03   0.03   0.02     0.02  -0.02   0.00
    29   6    -0.01   0.00  -0.00    -0.08   0.00   0.02     0.05   0.00   0.05
    30   9    -0.28  -0.14  -0.11    -0.00   0.02   0.06     0.10  -0.01   0.09
    31   8     0.00   0.00  -0.06    -0.03   0.07   0.05     0.02  -0.04   0.03
    32   9     0.21   0.06  -0.21    -0.15  -0.05   0.09     0.01   0.06   0.09
    33   9     0.01   0.07   0.30    -0.12   0.02  -0.08     0.07  -0.02   0.05
    34   9    -0.01  -0.07   0.30    -0.12   0.02   0.08     0.07  -0.02  -0.05
    35   9    -0.21  -0.06  -0.21    -0.16  -0.05  -0.09     0.01   0.06  -0.09
    36   1    -0.06   0.01   0.08     0.16  -0.10  -0.02     0.01  -0.05   0.04
    37   1    -0.08  -0.00   0.02     0.17  -0.05   0.03     0.04  -0.10   0.06
    38   1    -0.05   0.02   0.10     0.09  -0.14  -0.09     0.05  -0.04  -0.11
    39   1    -0.07   0.01   0.04     0.09  -0.09  -0.04     0.09  -0.10  -0.07
    40   1     0.02   0.02   0.06    -0.04  -0.08  -0.08    -0.00   0.02  -0.14
    41   1     0.09   0.01   0.00    -0.07   0.03   0.01    -0.10   0.10  -0.02
    42   1     0.10   0.03   0.04    -0.05   0.00  -0.01    -0.15   0.15   0.01
    43   1     0.11   0.03   0.06    -0.10  -0.03  -0.06    -0.11   0.15  -0.10
    44   1    -0.01   0.03   0.13     0.08  -0.13  -0.09    -0.03   0.04  -0.06
    45   1     0.05   0.03   0.14    -0.01  -0.13  -0.12    -0.07   0.11  -0.12
    46   1     0.06   0.03   0.11     0.04  -0.09  -0.07    -0.10   0.11  -0.03
    47   1    -0.01   0.01  -0.01     0.16   0.03   0.10    -0.05  -0.01   0.18
    48   1     0.01   0.02   0.05     0.14  -0.04   0.03    -0.08   0.05   0.13
    49   1     0.05   0.02  -0.00     0.07   0.04   0.07    -0.11   0.08   0.14
    50   1    -0.10  -0.03   0.04    -0.05   0.00   0.01    -0.15   0.15  -0.01
    51   1    -0.09  -0.01   0.00    -0.07   0.03  -0.01    -0.10   0.10   0.02
    52   1    -0.11  -0.03   0.06    -0.10  -0.03   0.06    -0.11   0.15   0.10
    53   1    -0.06  -0.03   0.11     0.04  -0.09   0.07    -0.10   0.11   0.03
    54   1    -0.05  -0.03   0.14    -0.01  -0.13   0.12    -0.07   0.11   0.12
    55   1     0.00  -0.03   0.13     0.08  -0.13   0.09    -0.03   0.04   0.06
    56   1     0.05  -0.02   0.10     0.09  -0.14   0.09     0.05  -0.04   0.11
    57   1     0.07  -0.00   0.04     0.09  -0.10   0.04     0.09  -0.10   0.07
    58   1     0.08   0.00   0.02     0.17  -0.05  -0.03     0.04  -0.10  -0.06
    59   1     0.06  -0.01   0.08     0.16  -0.10   0.02     0.01  -0.05  -0.04
    60   1    -0.02  -0.02   0.06    -0.04  -0.08   0.08    -0.00   0.02   0.14
    61   1    -0.02  -0.02   0.05     0.14  -0.04  -0.03    -0.08   0.05  -0.13
    62   1     0.01  -0.01  -0.01     0.16   0.03  -0.10    -0.05  -0.01  -0.18
    63   1    -0.06  -0.02   0.00     0.07   0.04  -0.07    -0.11   0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --     51.4995                61.7855                94.3952
 Red. masses --      4.9455                 5.2323                 7.2933
 Frc consts  --      0.0077                 0.0118                 0.0383
 IR Inten    --      0.3302                 0.0877                 0.0150
 RamAct Fr= 1--      0.0672                 0.7360                10.5598
  Dep-P Fr= 1--      0.4022                 0.7500                 0.3340
  Dep-U Fr= 1--      0.5736                 0.8571                 0.5008
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0976
 Beta2  Fr= 1--      0.0064                 0.1051                 0.8813
 AlphaG Fr= 1--      0.0213                -0.0000                 0.9815
 Gamma2 Fr= 1--     -0.2124                 4.5346                11.2441
 Delta2 Fr= 1--     -0.0629                -0.0247                -1.1131
 Raman1 Fr= 1--       0.269                  2.944                 42.239
 ROA1   Fr= 1--     -22.402                434.536               1043.816
 CID1   Fr= 1--     -83.308                147.609                 24.712
 Raman2 Fr= 1--       0.077                  1.262                 10.576
 ROA2   Fr= 1--      -4.594                109.029                278.764
 CID2   Fr= 1--     -59.561                 86.418                 26.358
 Raman3 Fr= 1--       0.154                  2.523                 21.152
 ROA3   Fr= 1--     -22.402                434.536               1043.816
 CID3   Fr= 1--    -145.231                172.211                 49.349
 RC180  Fr= 1--       0.147                  0.714                  0.002
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11  -0.07    -0.07  -0.09   0.03    -0.01  -0.09   0.02
     2   6    -0.00   0.02  -0.11    -0.00  -0.02   0.08     0.03  -0.05   0.05
     3   6     0.00   0.02  -0.11    -0.00  -0.02   0.15     0.03  -0.03   0.08
     4   6    -0.00   0.01  -0.04     0.00  -0.01   0.12     0.04  -0.03   0.06
     5   6    -0.01   0.00   0.03     0.01  -0.01   0.03     0.06  -0.04   0.04
     6   6    -0.01   0.10   0.03    -0.06  -0.08  -0.00     0.01  -0.08   0.01
     7   6     0.00  -0.04  -0.04     0.05   0.02   0.02     0.08  -0.03   0.01
     8   8    -0.00  -0.00  -0.01     0.01   0.00   0.10     0.03  -0.02   0.02
     9  29     0.00   0.00  -0.05    -0.00   0.02  -0.00    -0.00  -0.00  -0.09
    10   8     0.00   0.00  -0.04    -0.01   0.01   0.08     0.03  -0.02  -0.11
    11   6     0.00   0.01  -0.05    -0.01  -0.00   0.10     0.03  -0.02  -0.01
    12   6     0.01  -0.00   0.05    -0.03  -0.00  -0.00     0.11   0.01   0.01
    13   9    -0.04   0.07   0.10    -0.01  -0.09  -0.05     0.11   0.06   0.03
    14   6    -0.01  -0.04   0.13     0.05   0.02  -0.02     0.11  -0.03   0.03
    15   6    -0.00  -0.04  -0.00     0.06   0.03  -0.09     0.10  -0.05  -0.07
    16   6     0.01  -0.14  -0.06     0.13   0.10   0.06     0.16  -0.01   0.04
    17   8     0.00   0.00  -0.01     0.01   0.00  -0.10    -0.03   0.02   0.02
    18   6     0.00  -0.01  -0.04     0.00  -0.01  -0.12    -0.04   0.03   0.06
    19   6     0.01  -0.00   0.03     0.01  -0.01  -0.03    -0.06   0.04   0.04
    20   6    -0.00   0.04  -0.04     0.05   0.02  -0.02    -0.08   0.03   0.01
    21   6     0.00  -0.02  -0.11    -0.00  -0.02  -0.08    -0.03   0.05   0.05
    22   6    -0.00  -0.02  -0.11    -0.00  -0.02  -0.15    -0.03   0.03   0.08
    23   6     0.02  -0.11  -0.07    -0.07  -0.09  -0.03     0.01   0.09   0.02
    24   6     0.01  -0.10   0.03    -0.06  -0.08   0.00    -0.01   0.08   0.01
    25   6    -0.01   0.14  -0.06     0.13   0.10  -0.06    -0.16   0.01   0.04
    26   6     0.00   0.04  -0.00     0.06   0.03   0.09    -0.10   0.05  -0.07
    27   6     0.01   0.04   0.13     0.05   0.02   0.02    -0.11   0.03   0.03
    28   6    -0.00  -0.01  -0.05    -0.01  -0.00  -0.10    -0.03   0.02  -0.01
    29   6    -0.01   0.00   0.05    -0.03  -0.00   0.00    -0.11  -0.01   0.01
    30   9     0.04  -0.07   0.10    -0.01  -0.09   0.05    -0.11  -0.06   0.03
    31   8    -0.00  -0.00  -0.04    -0.01   0.01  -0.08    -0.03   0.02  -0.11
    32   9    -0.04   0.08   0.08    -0.05   0.06   0.02    -0.13  -0.07   0.03
    33   9    -0.01   0.02   0.09    -0.05   0.03   0.06    -0.18   0.05  -0.01
    34   9     0.01  -0.02   0.09    -0.05   0.03  -0.06     0.18  -0.05  -0.01
    35   9     0.04  -0.08   0.08    -0.05   0.06  -0.02     0.13   0.07   0.03
    36   1     0.01  -0.11   0.08    -0.07  -0.08   0.08    -0.01   0.08  -0.03
    37   1     0.01  -0.16   0.04    -0.10  -0.12  -0.03     0.02   0.08   0.04
    38   1     0.02  -0.12  -0.08    -0.07  -0.09   0.02     0.02   0.10  -0.02
    39   1     0.03  -0.17  -0.10    -0.11  -0.13  -0.08     0.05   0.10   0.05
    40   1    -0.01  -0.01  -0.17     0.00  -0.02  -0.10    -0.03   0.05   0.05
    41   1    -0.01   0.14  -0.08     0.14   0.09  -0.13    -0.16   0.01   0.09
    42   1    -0.02   0.19   0.01     0.16   0.13  -0.01    -0.19  -0.01   0.02
    43   1    -0.01   0.18  -0.12     0.16   0.12  -0.07    -0.18  -0.00   0.02
    44   1     0.00  -0.01   0.01     0.00  -0.02   0.13    -0.05   0.06  -0.10
    45   1    -0.00   0.07  -0.05     0.08   0.04   0.10    -0.11   0.07  -0.12
    46   1    -0.00   0.09   0.05     0.10   0.06   0.13    -0.16   0.05  -0.07
    47   1     0.02  -0.00   0.17     0.01  -0.01   0.00    -0.08   0.02   0.06
    48   1     0.02   0.04   0.17     0.05   0.02   0.10    -0.12   0.04  -0.03
    49   1     0.01   0.12   0.13     0.11   0.07  -0.01    -0.16   0.00   0.05
    50   1     0.02  -0.19   0.01     0.16   0.13   0.01     0.19   0.01   0.02
    51   1     0.01  -0.14  -0.08     0.14   0.09   0.13     0.16  -0.01   0.09
    52   1     0.01  -0.18  -0.12     0.16   0.12   0.07     0.18   0.00   0.02
    53   1     0.00  -0.09   0.05     0.10   0.06  -0.13     0.16  -0.06  -0.07
    54   1     0.00  -0.07  -0.05     0.08   0.04  -0.10     0.11  -0.07  -0.11
    55   1    -0.00   0.01   0.01     0.00  -0.02  -0.13     0.05  -0.06  -0.10
    56   1    -0.02   0.12  -0.08    -0.07  -0.09  -0.02    -0.01  -0.10  -0.02
    57   1    -0.03   0.17  -0.10    -0.11  -0.13   0.08    -0.05  -0.10   0.05
    58   1    -0.01   0.16   0.04    -0.10  -0.12   0.03    -0.02  -0.08   0.04
    59   1    -0.01   0.11   0.08    -0.07  -0.08  -0.08     0.01  -0.08  -0.03
    60   1     0.01   0.01  -0.17     0.00  -0.02   0.10     0.03  -0.05   0.05
    61   1    -0.02  -0.04   0.17     0.05   0.02  -0.10     0.12  -0.04  -0.03
    62   1    -0.02   0.00   0.17     0.02  -0.01  -0.00     0.08  -0.02   0.06
    63   1    -0.01  -0.12   0.12     0.11   0.07   0.01     0.16  -0.00   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --     99.8562               112.6740               116.2184
 Red. masses --      5.9577                10.1621                 6.5481
 Frc consts  --      0.0350                 0.0760                 0.0521
 IR Inten    --      0.0130                 0.4153                 0.0022
 RamAct Fr= 1--      6.4001                 2.4749                 7.0734
  Dep-P Fr= 1--      0.3432                 0.7500                 0.4980
  Dep-U Fr= 1--      0.5110                 0.8571                 0.6649
 Alpha2 Fr= 1--      0.0574                 0.0000                 0.0353
 Beta2  Fr= 1--      0.5451                 0.3535                 0.7839
 AlphaG Fr= 1--     -0.6916                -0.0000                -0.1783
 Gamma2 Fr= 1--     -8.8465                10.5494                12.4528
 Delta2 Fr= 1--      0.1986                 1.3159                 0.0842
 Raman1 Fr= 1--      25.600                  9.900                 28.293
 ROA1   Fr= 1--    -842.904               1054.856               1198.161
 CID1   Fr= 1--     -32.925                106.556                 42.348
 Raman2 Fr= 1--       6.541                  4.243                  9.406
 ROA2   Fr= 1--    -213.904                242.659                298.192
 CID2   Fr= 1--     -32.702                 57.196                 31.701
 Raman3 Fr= 1--      13.082                  8.485                 18.813
 ROA3   Fr= 1--    -842.904               1054.856               1198.161
 CID3   Fr= 1--     -64.433                124.318                 63.689
 RC180  Fr= 1--       0.022                  0.714                  0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.00  -0.02     0.06   0.10  -0.03    -0.07  -0.02  -0.02
     2   6     0.03  -0.02  -0.06     0.04   0.04  -0.06    -0.04  -0.03  -0.02
     3   6     0.03   0.02  -0.10     0.04   0.01  -0.05    -0.04  -0.08  -0.01
     4   6     0.04   0.02  -0.08     0.02   0.01  -0.07    -0.06  -0.09  -0.01
     5   6     0.06  -0.00  -0.06     0.00   0.02  -0.02    -0.10  -0.06  -0.01
     6   6     0.14   0.01  -0.03     0.06   0.09   0.01    -0.11  -0.04  -0.02
     7   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01    -0.08  -0.03  -0.01
     8   8     0.04   0.01  -0.04     0.02   0.00  -0.13    -0.05  -0.08  -0.00
     9  29     0.00   0.00   0.11     0.03  -0.01   0.00    -0.00   0.00   0.04
    10   8     0.02  -0.01   0.15     0.03  -0.03   0.40    -0.01  -0.11   0.04
    11   6     0.02   0.01   0.02     0.04  -0.02   0.15    -0.02  -0.10   0.01
    12   6     0.06   0.03  -0.00    -0.02  -0.03   0.02     0.06  -0.07  -0.00
    13   9     0.07   0.03  -0.01     0.01  -0.19  -0.05     0.08  -0.05  -0.00
    14   6     0.09   0.00  -0.06    -0.06  -0.01   0.02    -0.18  -0.08  -0.02
    15   6     0.02  -0.09   0.08    -0.02   0.04   0.06    -0.10   0.02  -0.00
    16   6    -0.09  -0.07  -0.05    -0.05  -0.04  -0.04    -0.08  -0.05  -0.02
    17   8    -0.04  -0.01  -0.04     0.02   0.00   0.13     0.05   0.08  -0.00
    18   6    -0.04  -0.02  -0.08     0.03   0.01   0.07     0.05   0.09  -0.01
    19   6    -0.06   0.00  -0.06     0.01   0.02   0.02     0.10   0.06  -0.01
    20   6    -0.00   0.04  -0.02    -0.01   0.02   0.01     0.08   0.03  -0.01
    21   6    -0.03   0.02  -0.06     0.04   0.04   0.06     0.04   0.03  -0.02
    22   6    -0.03  -0.02  -0.10     0.04   0.01   0.05     0.04   0.08  -0.01
    23   6    -0.12   0.00  -0.02     0.06   0.10   0.03     0.07   0.02  -0.02
    24   6    -0.14  -0.01  -0.03     0.06   0.09  -0.01     0.11   0.04  -0.02
    25   6     0.09   0.07  -0.05    -0.05  -0.04   0.04     0.08   0.05  -0.02
    26   6    -0.02   0.09   0.08    -0.02   0.04  -0.06     0.10  -0.03  -0.00
    27   6    -0.09  -0.00  -0.06    -0.05  -0.00  -0.02     0.18   0.08  -0.01
    28   6    -0.02  -0.01   0.02     0.04  -0.02  -0.15     0.01   0.10   0.01
    29   6    -0.06  -0.03  -0.00    -0.02  -0.03  -0.02    -0.06   0.07  -0.00
    30   9    -0.07  -0.03  -0.00     0.01  -0.19   0.05    -0.08   0.06  -0.01
    31   8    -0.02   0.01   0.15     0.03  -0.03  -0.39     0.01   0.11   0.04
    32   9    -0.06  -0.08   0.00    -0.07   0.02   0.02    -0.06   0.00   0.01
    33   9    -0.09  -0.00  -0.02    -0.09   0.05   0.03    -0.12   0.13  -0.02
    34   9     0.09   0.00  -0.02    -0.09   0.04  -0.03     0.13  -0.13  -0.03
    35   9     0.06   0.08   0.00    -0.07   0.02  -0.02     0.07   0.01   0.01
    36   1    -0.16   0.01   0.03     0.06   0.09  -0.07     0.14   0.02  -0.03
    37   1    -0.18  -0.04  -0.07     0.09   0.13   0.01     0.12   0.07  -0.01
    38   1    -0.12   0.03   0.04     0.06   0.10   0.00     0.07  -0.01  -0.02
    39   1    -0.15  -0.02  -0.05     0.08   0.13   0.05     0.05   0.03  -0.01
    40   1     0.00   0.03  -0.04     0.06   0.05   0.08     0.01   0.01  -0.02
    41   1     0.11   0.03  -0.12    -0.06  -0.01   0.08     0.06   0.09  -0.03
    42   1     0.08   0.09  -0.03    -0.04  -0.07  -0.00     0.11   0.06  -0.01
    43   1     0.14   0.11  -0.04    -0.08  -0.07   0.06     0.06   0.03  -0.02
    44   1    -0.08   0.08   0.11     0.03   0.03  -0.08     0.11  -0.03  -0.00
    45   1     0.03   0.13   0.10    -0.03   0.05  -0.11     0.08  -0.07   0.02
    46   1    -0.01   0.11   0.11    -0.07   0.05  -0.05     0.15  -0.04  -0.02
    47   1    -0.16  -0.05  -0.10    -0.04   0.00  -0.01     0.22   0.13  -0.02
    48   1    -0.12   0.04   0.00    -0.07   0.02  -0.09     0.23   0.02  -0.01
    49   1    -0.02  -0.01  -0.09    -0.09  -0.06  -0.00     0.18   0.11  -0.02
    50   1    -0.08  -0.09  -0.03    -0.04  -0.07   0.00    -0.11  -0.06  -0.01
    51   1    -0.11  -0.03  -0.12    -0.06  -0.01  -0.08    -0.07  -0.08  -0.03
    52   1    -0.14  -0.11  -0.04    -0.08  -0.07  -0.06    -0.06  -0.04  -0.02
    53   1     0.00  -0.11   0.11    -0.08   0.05   0.05    -0.15   0.04  -0.02
    54   1    -0.03  -0.13   0.10    -0.03   0.06   0.11    -0.08   0.06   0.02
    55   1     0.08  -0.08   0.11     0.03   0.03   0.08    -0.11   0.02  -0.01
    56   1     0.12  -0.02   0.04     0.06   0.10  -0.01    -0.07   0.01  -0.02
    57   1     0.15   0.02  -0.05     0.07   0.13  -0.05    -0.06  -0.04  -0.01
    58   1     0.18   0.04  -0.07     0.08   0.13  -0.01    -0.13  -0.07  -0.01
    59   1     0.16  -0.01   0.03     0.06   0.09   0.07    -0.14  -0.02  -0.03
    60   1    -0.00  -0.03  -0.04     0.06   0.05  -0.08    -0.02  -0.02  -0.02
    61   1     0.12  -0.04   0.00    -0.07   0.02   0.09    -0.22  -0.02  -0.01
    62   1     0.16   0.05  -0.10    -0.04  -0.00   0.01    -0.21  -0.13  -0.02
    63   1     0.02   0.01  -0.09    -0.10  -0.06   0.00    -0.18  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    116.9284               133.5955               141.3717
 Red. masses --      6.5524                 8.1077                 4.9082
 Frc consts  --      0.0528                 0.0853                 0.0578
 IR Inten    --      1.1688                 0.0025                 0.0632
 RamAct Fr= 1--      0.6448                 1.3261                26.4161
  Dep-P Fr= 1--      0.7487                 0.1410                 0.2615
  Dep-U Fr= 1--      0.8563                 0.2472                 0.4146
 Alpha2 Fr= 1--      0.0000                 0.0210                 0.3031
 Beta2  Fr= 1--      0.0920                 0.0546                 1.8254
 AlphaG Fr= 1--     -0.0001                -1.3102                 4.0925
 Gamma2 Fr= 1--      0.2308                -3.9832                26.0766
 Delta2 Fr= 1--     -0.0774                -0.4344                -1.4513
 Raman1 Fr= 1--       2.579                  5.304                105.664
 ROA1   Fr= 1--      19.684               -396.284               2456.909
 CID1   Fr= 1--       7.632                -74.708                 23.252
 Raman2 Fr= 1--       1.104                  0.656                 21.905
 ROA2   Fr= 1--       6.159                -92.121                637.447
 CID2   Fr= 1--       5.578               -140.492                 29.101
 Raman3 Fr= 1--       2.209                  1.311                 43.810
 ROA3   Fr= 1--      19.684               -396.284               2456.909
 CID3   Fr= 1--       8.913               -302.184                 56.081
 RC180  Fr= 1--       0.713                 -0.506                 -0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.02    -0.07  -0.07  -0.01    -0.13  -0.03  -0.02
     2   6    -0.07  -0.05  -0.02    -0.10  -0.03  -0.00    -0.08  -0.01   0.00
     3   6    -0.07   0.01  -0.00    -0.09   0.03  -0.02    -0.08   0.02   0.05
     4   6    -0.03   0.03  -0.01    -0.06   0.04   0.04    -0.05   0.04  -0.01
     5   6     0.02  -0.02  -0.01    -0.03   0.00  -0.03    -0.02   0.01   0.02
     6   6     0.02  -0.04  -0.01    -0.05  -0.06  -0.04    -0.04   0.01   0.01
     7   6    -0.03  -0.07  -0.01    -0.07  -0.03  -0.01    -0.04  -0.02  -0.01
     8   8    -0.03   0.05  -0.04    -0.05   0.04   0.21    -0.04   0.06  -0.12
     9  29    -0.03   0.02  -0.00    -0.00  -0.00   0.09    -0.00   0.00  -0.07
    10   8    -0.06  -0.03   0.13    -0.07   0.01  -0.20    -0.06  -0.02   0.11
    11   6    -0.06   0.01   0.06    -0.08   0.03  -0.10    -0.07   0.01   0.08
    12   6     0.04   0.06   0.02    -0.03   0.06  -0.03    -0.03   0.05   0.03
    13   9     0.06   0.08   0.01    -0.06   0.18   0.03    -0.00   0.02   0.01
    14   6     0.10  -0.00  -0.01     0.05   0.04  -0.08     0.02   0.01   0.05
    15   6     0.01  -0.17  -0.01    -0.05  -0.10   0.01    -0.00  -0.11  -0.03
    16   6    -0.05  -0.07  -0.02    -0.13   0.01  -0.02    -0.04   0.00   0.00
    17   8    -0.03   0.05   0.04     0.05  -0.04   0.21     0.04  -0.06  -0.12
    18   6    -0.03   0.02   0.01     0.06  -0.04   0.05     0.04  -0.04  -0.01
    19   6     0.01  -0.02   0.01     0.03  -0.00  -0.03     0.02  -0.01   0.01
    20   6    -0.03  -0.07   0.02     0.07   0.03  -0.01     0.04   0.02  -0.01
    21   6    -0.07  -0.05   0.02     0.10   0.03  -0.00     0.08   0.01   0.00
    22   6    -0.07   0.01   0.00     0.09  -0.03  -0.02     0.08  -0.02   0.05
    23   6    -0.06  -0.07   0.02     0.07   0.07  -0.01     0.13   0.03  -0.02
    24   6     0.01  -0.04   0.01     0.05   0.06  -0.04     0.04  -0.01   0.01
    25   6    -0.06  -0.07   0.02     0.13  -0.01  -0.02     0.04  -0.00   0.00
    26   6     0.01  -0.17   0.01     0.05   0.10   0.01     0.00   0.11  -0.03
    27   6     0.09  -0.00   0.01    -0.05  -0.04  -0.08    -0.02  -0.01   0.05
    28   6    -0.06   0.00  -0.06     0.08  -0.03  -0.11     0.07  -0.01   0.08
    29   6     0.04   0.06  -0.02     0.03  -0.06  -0.03     0.03  -0.05   0.03
    30   9     0.07   0.08  -0.01     0.06  -0.18   0.03     0.00  -0.02   0.01
    31   8    -0.06  -0.04  -0.13     0.07  -0.01  -0.20     0.06   0.02   0.11
    32   9     0.05   0.20  -0.03    -0.00  -0.03   0.00     0.04  -0.14   0.02
    33   9     0.14  -0.01   0.03    -0.03  -0.00   0.01    -0.01  -0.03  -0.01
    34   9     0.13  -0.01  -0.03     0.03   0.00   0.01     0.01   0.03  -0.01
    35   9     0.04   0.20   0.03     0.00   0.03   0.00    -0.04   0.14   0.02
    36   1     0.06  -0.08   0.00     0.04   0.07  -0.08    -0.02   0.04   0.03
    37   1     0.03   0.00   0.01     0.06   0.08  -0.03     0.03  -0.09   0.02
    38   1    -0.06  -0.13   0.04     0.06   0.08   0.00     0.14   0.09  -0.10
    39   1    -0.10  -0.06   0.01     0.06   0.08   0.00     0.22   0.01   0.01
    40   1    -0.10  -0.07   0.02     0.13   0.04   0.02     0.09   0.02  -0.02
    41   1    -0.10   0.03   0.02     0.14  -0.03  -0.04     0.11  -0.19   0.03
    42   1     0.04  -0.09  -0.00     0.13  -0.02  -0.03    -0.15   0.03   0.03
    43   1    -0.13  -0.15   0.05     0.16   0.01   0.02     0.16   0.14  -0.06
    44   1     0.04  -0.20   0.01     0.04   0.08   0.02    -0.05   0.26  -0.06
    45   1    -0.05  -0.22   0.00     0.08   0.15  -0.02     0.07   0.12   0.08
    46   1     0.07  -0.17   0.01     0.00   0.12   0.04    -0.05   0.03  -0.13
    47   1     0.12   0.05   0.00    -0.09  -0.07  -0.10    -0.01  -0.03   0.08
    48   1     0.13  -0.06   0.01    -0.10   0.01  -0.11    -0.03   0.01   0.04
    49   1     0.09   0.02   0.01    -0.05  -0.12  -0.08    -0.05   0.01   0.06
    50   1     0.04  -0.09   0.00    -0.13   0.02  -0.03     0.15  -0.03   0.03
    51   1    -0.10   0.04  -0.02    -0.14   0.03  -0.04    -0.11   0.19   0.03
    52   1    -0.13  -0.15  -0.05    -0.16  -0.01   0.02    -0.16  -0.14  -0.06
    53   1     0.08  -0.17  -0.01    -0.00  -0.12   0.04     0.05  -0.03  -0.13
    54   1    -0.05  -0.22  -0.00    -0.08  -0.15  -0.02    -0.07  -0.12   0.07
    55   1     0.04  -0.20  -0.01    -0.04  -0.08   0.02     0.05  -0.26  -0.06
    56   1    -0.05  -0.13  -0.04    -0.06  -0.08   0.00    -0.14  -0.09  -0.10
    57   1    -0.10  -0.06  -0.01    -0.06  -0.08   0.00    -0.22  -0.01   0.01
    58   1     0.03   0.01  -0.01    -0.06  -0.08  -0.03    -0.03   0.08   0.02
    59   1     0.06  -0.08  -0.00    -0.04  -0.07  -0.08     0.02  -0.04   0.03
    60   1    -0.10  -0.07  -0.02    -0.13  -0.04   0.02    -0.09  -0.02  -0.02
    61   1     0.14  -0.06  -0.01     0.10  -0.01  -0.11     0.03  -0.01   0.04
    62   1     0.13   0.05  -0.00     0.09   0.07  -0.10     0.01   0.03   0.08
    63   1     0.10   0.02  -0.01     0.05   0.12  -0.08     0.05  -0.01   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    161.8765               169.1022               172.5382
 Red. masses --      1.7760                 1.1822                 2.0303
 Frc consts  --      0.0274                 0.0199                 0.0356
 IR Inten    --      0.2515                 0.1299                 0.1993
 RamAct Fr= 1--      0.5693                 6.6369                 0.2365
  Dep-P Fr= 1--      0.7495                 0.1706                 0.7499
  Dep-U Fr= 1--      0.8568                 0.2915                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0973                 0.0000
 Beta2  Fr= 1--      0.0813                 0.3225                 0.0338
 AlphaG Fr= 1--      0.0001                 1.1717                 0.0000
 Gamma2 Fr= 1--      6.3005                 4.3827                 3.9818
 Delta2 Fr= 1--     -0.0453                -0.5500                 0.0756
 Raman1 Fr= 1--       2.277                 26.548                  0.946
 ROA1   Fr= 1--     603.398                403.139                384.668
 CID1   Fr= 1--     264.954                 15.186                406.710
 Raman2 Fr= 1--       0.976                  3.870                  0.405
 ROA2   Fr= 1--     151.575                109.585                 94.958
 CID2   Fr= 1--     155.364                 28.319                234.275
 Raman3 Fr= 1--       1.951                  7.739                  0.811
 ROA3   Fr= 1--     603.398                403.139                384.668
 CID3   Fr= 1--     309.242                 52.090                474.516
 RC180  Fr= 1--       0.714                 -0.417                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.00   0.01    -0.01   0.00  -0.01    -0.00   0.01  -0.03
     2   6     0.01   0.00  -0.02     0.01   0.00  -0.00     0.00   0.01  -0.02
     3   6     0.00   0.01  -0.03     0.01  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.00   0.00   0.02     0.01  -0.01  -0.00     0.00   0.00   0.03
     5   6    -0.00  -0.00  -0.02     0.01   0.00  -0.00     0.01   0.01  -0.02
     6   6    -0.01  -0.02  -0.02     0.03   0.02   0.01     0.01   0.01  -0.02
     7   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01   0.00  -0.01
     8   8    -0.01  -0.01   0.11     0.01  -0.01   0.02    -0.00  -0.01   0.15
     9  29    -0.00  -0.00   0.00    -0.00   0.00   0.02     0.01  -0.01   0.00
    10   8     0.00   0.00   0.04     0.01   0.00  -0.03     0.01  -0.00   0.01
    11   6     0.00   0.01  -0.00     0.01  -0.00  -0.01     0.01   0.00  -0.00
    12   6    -0.00   0.01  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    13   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.03   0.02  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.04
    15   6    -0.02   0.01   0.03     0.01   0.00   0.01    -0.01  -0.01   0.04
    16   6    -0.03  -0.04  -0.02    -0.01   0.03  -0.00    -0.07   0.01  -0.02
    17   8    -0.01  -0.01  -0.11    -0.01   0.01   0.02    -0.00  -0.01  -0.15
    18   6    -0.00   0.00  -0.02    -0.01   0.01  -0.00     0.00   0.00  -0.03
    19   6    -0.00  -0.00   0.01    -0.01  -0.00  -0.00     0.01   0.01   0.02
    20   6    -0.01  -0.01   0.00    -0.01  -0.01  -0.00    -0.01   0.00   0.01
    21   6     0.01   0.00   0.02    -0.01  -0.00  -0.00     0.00   0.01   0.02
    22   6     0.00   0.01   0.03    -0.01   0.00   0.00     0.00   0.01   0.02
    23   6     0.05   0.00  -0.01     0.01  -0.00  -0.01    -0.00   0.01   0.03
    24   6    -0.01  -0.02   0.02    -0.03  -0.02   0.01     0.01   0.01   0.02
    25   6    -0.03  -0.04   0.02     0.01  -0.03  -0.00    -0.07   0.01   0.02
    26   6    -0.02   0.01  -0.03    -0.01  -0.00   0.01    -0.01  -0.01  -0.04
    27   6     0.03   0.02   0.05     0.01   0.01   0.01     0.02   0.02   0.04
    28   6     0.00   0.01   0.00    -0.01   0.00  -0.01     0.01   0.00   0.00
    29   6    -0.00   0.01   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    30   9    -0.00   0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.01   0.00
    31   8     0.00   0.00  -0.04    -0.01  -0.00  -0.03     0.01  -0.00  -0.01
    32   9    -0.00   0.00   0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
    33   9    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    34   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    35   9    -0.00   0.00  -0.00     0.01  -0.03  -0.00     0.00  -0.02  -0.00
    36   1    -0.05   0.01   0.06    -0.05   0.01   0.04     0.03  -0.00  -0.00
    37   1    -0.03  -0.09   0.02    -0.05  -0.06  -0.00     0.03   0.03   0.02
    38   1     0.06   0.05  -0.08     0.02   0.03  -0.06    -0.00  -0.01   0.04
    39   1     0.13  -0.01   0.02     0.06  -0.01   0.00    -0.02   0.01   0.02
    40   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01     0.00   0.01   0.03
    41   1     0.06  -0.24   0.07     0.10  -0.25   0.02    -0.16   0.23   0.03
    42   1    -0.24  -0.01   0.05    -0.21   0.01   0.04     0.13  -0.03  -0.02
    43   1     0.10   0.11  -0.05     0.15   0.14  -0.07    -0.22  -0.16   0.08
    44   1    -0.12   0.28  -0.08    -0.14   0.28  -0.04     0.13  -0.26  -0.00
    45   1     0.04  -0.07   0.23     0.06  -0.10   0.31    -0.08   0.06  -0.31
    46   1     0.01  -0.17  -0.25     0.06  -0.20  -0.23    -0.08   0.15   0.16
    47   1     0.08   0.04   0.09     0.06   0.03   0.04    -0.02  -0.00   0.01
    48   1     0.06  -0.02   0.04     0.03  -0.03  -0.03     0.02   0.03   0.11
    49   1    -0.00   0.07   0.07    -0.03   0.02   0.03     0.08   0.05   0.01
    50   1    -0.24  -0.01  -0.05     0.21  -0.01   0.04     0.14  -0.03   0.02
    51   1     0.05  -0.24  -0.07    -0.10   0.25   0.03    -0.16   0.24  -0.03
    52   1     0.10   0.11   0.05    -0.15  -0.14  -0.07    -0.23  -0.16  -0.08
    53   1     0.01  -0.17   0.24    -0.06   0.19  -0.23    -0.08   0.16  -0.17
    54   1     0.04  -0.07  -0.23    -0.06   0.10   0.30    -0.08   0.07   0.32
    55   1    -0.11   0.27   0.08     0.14  -0.28  -0.04     0.13  -0.26   0.00
    56   1     0.06   0.05   0.08    -0.02  -0.03  -0.06    -0.00  -0.01  -0.05
    57   1     0.13  -0.01  -0.02    -0.06   0.01   0.00    -0.02   0.01  -0.02
    58   1    -0.03  -0.09  -0.02     0.05   0.06  -0.00     0.03   0.03  -0.02
    59   1    -0.05   0.01  -0.06     0.05  -0.01   0.04     0.03  -0.00   0.00
    60   1    -0.01  -0.00  -0.00     0.02   0.01  -0.01     0.00   0.01  -0.03
    61   1     0.06  -0.02  -0.04    -0.03   0.03  -0.03     0.02   0.03  -0.11
    62   1     0.08   0.04  -0.09    -0.06  -0.03   0.04    -0.02  -0.00  -0.01
    63   1    -0.00   0.07  -0.07     0.03  -0.02   0.03     0.08   0.05  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    189.5753               189.8258               207.0869
 Red. masses --      1.2184                 1.1919                 1.9847
 Frc consts  --      0.0258                 0.0253                 0.0501
 IR Inten    --      0.3501                 0.1268                 0.6486
 RamAct Fr= 1--      0.1505                 1.3227                 0.0765
  Dep-P Fr= 1--      0.3929                 0.2717                 0.7500
  Dep-U Fr= 1--      0.5641                 0.4272                 0.8571
 Alpha2 Fr= 1--      0.0011                 0.0147                 0.0000
 Beta2  Fr= 1--      0.0141                 0.0942                 0.0109
 AlphaG Fr= 1--      0.0145                 0.1862                 0.0000
 Gamma2 Fr= 1--      0.4501                 4.2334                -0.1971
 Delta2 Fr= 1--     -0.1011                -0.0803                -0.2054
 Raman1 Fr= 1--       0.602                  5.291                  0.306
 ROA1   Fr= 1--      39.972                403.834                -25.495
 CID1   Fr= 1--      66.415                 76.328                -83.279
 Raman2 Fr= 1--       0.170                  1.130                  0.131
 ROA2   Fr= 1--      11.611                102.244                 -3.087
 CID2   Fr= 1--      68.396                 90.464                -23.528
 Raman3 Fr= 1--       0.340                  2.260                  0.262
 ROA3   Fr= 1--      39.972                403.834                -25.495
 CID3   Fr= 1--     117.727                178.653                -97.161
 RC180  Fr= 1--       0.128                 -0.146                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.01  -0.00     0.02  -0.03  -0.00
     2   6     0.01  -0.01   0.00    -0.01   0.00   0.00     0.02  -0.02  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.02  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.02  -0.00
     5   6    -0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.03  -0.01
     6   6    -0.01  -0.02  -0.00     0.02   0.02   0.01     0.01  -0.03  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.01  -0.00     0.01  -0.02  -0.00
     8   8     0.00   0.00  -0.02    -0.00  -0.00   0.00     0.01  -0.01   0.02
     9  29    -0.00   0.01   0.00     0.00  -0.00   0.01    -0.01   0.05   0.00
    10   8    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.02   0.01
    14   6    -0.00  -0.01  -0.01    -0.02  -0.01   0.02    -0.06  -0.04  -0.02
    15   6    -0.01   0.03   0.01     0.02  -0.04  -0.03    -0.03   0.08   0.00
    16   6     0.01  -0.04  -0.00    -0.00   0.07   0.01     0.05  -0.08  -0.01
    17   8     0.00   0.00   0.02    -0.00   0.00  -0.01     0.01  -0.01  -0.02
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.00
    19   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.03   0.01
    20   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.02   0.00
    21   6     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.02  -0.02   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02   0.00
    23   6     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.03   0.00
    24   6    -0.01  -0.03   0.01    -0.01  -0.01   0.01     0.01  -0.03   0.00
    25   6     0.01  -0.07   0.01    -0.00  -0.04   0.01     0.05  -0.08   0.01
    26   6    -0.03   0.05  -0.03    -0.01   0.02  -0.02    -0.03   0.09  -0.01
    27   6     0.01  -0.00   0.02     0.02   0.01   0.01    -0.06  -0.04   0.02
    28   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.01  -0.00  -0.00
    29   6    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    30   9    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.02  -0.01
    31   8    -0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.01   0.02  -0.01
    32   9    -0.00   0.02  -0.00    -0.00   0.01  -0.00    -0.01   0.04  -0.00
    33   9     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.02  -0.02   0.00
    34   9     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02  -0.02  -0.00
    35   9    -0.00   0.01   0.00     0.01  -0.02  -0.00    -0.01   0.04   0.00
    36   1    -0.03  -0.01   0.04    -0.02  -0.00   0.03     0.00  -0.03   0.00
    37   1    -0.03  -0.06   0.00    -0.02  -0.03   0.00     0.01  -0.04   0.01
    38   1     0.02   0.01  -0.03     0.01   0.01  -0.01     0.02  -0.02  -0.01
    39   1     0.04  -0.03  -0.00     0.02  -0.01   0.00     0.03  -0.03   0.00
    40   1     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.02  -0.00
    41   1     0.02  -0.09   0.02    -0.00  -0.03   0.02     0.08  -0.15   0.01
    42   1     0.01  -0.11  -0.04     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    43   1     0.03  -0.09   0.06    -0.01  -0.05   0.03     0.11  -0.06   0.05
    44   1    -0.02   0.06  -0.03    -0.01   0.03  -0.02     0.03  -0.07   0.03
    45   1     0.01   0.09  -0.06    -0.00   0.04  -0.03    -0.01   0.22  -0.22
    46   1    -0.09   0.06  -0.01    -0.04   0.02  -0.02    -0.16   0.22   0.16
    47   1    -0.34  -0.21  -0.24    -0.17  -0.10  -0.13     0.11   0.02   0.17
    48   1    -0.09   0.15   0.46    -0.03   0.09   0.27    -0.04  -0.08  -0.20
    49   1     0.44   0.05  -0.16     0.27   0.04  -0.09    -0.29  -0.07   0.12
    50   1     0.01  -0.06   0.02    -0.01   0.10  -0.04     0.01  -0.11   0.03
    51   1     0.02  -0.06  -0.01    -0.01   0.07   0.02     0.08  -0.15  -0.01
    52   1     0.03  -0.05  -0.03    -0.01   0.09   0.06     0.11  -0.06  -0.05
    53   1    -0.05   0.04  -0.00     0.08  -0.05  -0.02    -0.16   0.22  -0.16
    54   1     0.01   0.06   0.03    -0.00  -0.08  -0.05    -0.01   0.22   0.22
    55   1    -0.01   0.03   0.01     0.02  -0.06  -0.04     0.03  -0.07  -0.03
    56   1     0.01   0.00   0.02    -0.02  -0.01  -0.03     0.02  -0.02   0.01
    57   1     0.03  -0.02   0.00    -0.04   0.02   0.00     0.03  -0.03  -0.00
    58   1    -0.01  -0.03  -0.00     0.03   0.06   0.01     0.01  -0.04  -0.01
    59   1    -0.02  -0.01  -0.02     0.04   0.01   0.04     0.00  -0.03  -0.00
    60   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.01  -0.02   0.00
    61   1    -0.06   0.09  -0.25     0.07  -0.15   0.47    -0.04  -0.08   0.21
    62   1    -0.20  -0.12   0.13     0.32   0.19  -0.23     0.11   0.02  -0.17
    63   1     0.24   0.02   0.09    -0.46  -0.06  -0.16    -0.30  -0.07  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --    212.8152               216.9552               223.7127
 Red. masses --      1.9881                 3.7531                 3.7085
 Frc consts  --      0.0531                 0.1041                 0.1094
 IR Inten    --      0.1049                 1.9143                 0.2709
 RamAct Fr= 1--      6.3247                 1.3133                 0.3606
  Dep-P Fr= 1--      0.1356                 0.7018                 0.7500
  Dep-U Fr= 1--      0.2388                 0.8248                 0.8571
 Alpha2 Fr= 1--      0.1014                 0.0011                 0.0000
 Beta2  Fr= 1--      0.2517                 0.1805                 0.0515
 AlphaG Fr= 1--      0.5757                -0.0292                -0.0000
 Gamma2 Fr= 1--      9.3015               -17.3803               -14.0438
 Delta2 Fr= 1--      0.9924                -1.0972                -0.0646
 Raman1 Fr= 1--      25.299                  5.253                  1.442
 ROA1   Fr= 1--     924.700              -1703.617              -1350.271
 CID1   Fr= 1--      36.551               -324.311               -936.253
 Raman2 Fr= 1--       3.020                  2.166                  0.618
 ROA2   Fr= 1--     215.296               -408.350               -336.535
 CID2   Fr= 1--      71.287               -188.505               -544.477
 Raman3 Fr= 1--       6.040                  4.333                  1.236
 ROA3   Fr= 1--     924.700              -1703.617              -1350.271
 CID3   Fr= 1--     153.090               -393.217              -1092.295
 RC180  Fr= 1--      -0.522                  0.650                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.00     0.01  -0.02   0.03    -0.02   0.00  -0.01
     2   6    -0.01   0.02   0.00    -0.00  -0.02   0.03    -0.01  -0.01  -0.01
     3   6     0.00   0.01  -0.00    -0.01  -0.01   0.00     0.00  -0.02  -0.01
     4   6    -0.00   0.01   0.00     0.01  -0.01  -0.05     0.02  -0.02   0.00
     5   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.01  -0.01
     6   6    -0.01   0.04   0.00     0.06   0.00   0.03    -0.00   0.01  -0.00
     7   6    -0.01   0.02  -0.00     0.01  -0.01   0.01    -0.01  -0.01  -0.01
     8   8    -0.01   0.00   0.00     0.01   0.01  -0.15     0.03   0.03   0.06
     9  29     0.00  -0.00   0.01     0.00   0.00   0.09     0.05   0.12  -0.00
    10   8     0.02  -0.01  -0.01    -0.02   0.01  -0.03    -0.00   0.02   0.00
    11   6     0.02  -0.01  -0.00    -0.03   0.01  -0.04    -0.01  -0.03   0.00
    12   6     0.02  -0.03  -0.00    -0.02   0.03  -0.03     0.01  -0.03   0.00
    13   9     0.02  -0.05  -0.01    -0.05   0.11   0.01     0.02  -0.04  -0.00
    14   6     0.01   0.02   0.02    -0.11  -0.06   0.04    -0.18  -0.05  -0.02
    15   6     0.04  -0.10  -0.01     0.03  -0.03  -0.05     0.03  -0.09  -0.01
    16   6    -0.06   0.10   0.00     0.06   0.05   0.03    -0.05   0.06  -0.00
    17   8     0.01  -0.00   0.00    -0.01  -0.01  -0.15     0.03   0.03  -0.06
    18   6     0.00  -0.01   0.00    -0.01   0.01  -0.05     0.02  -0.02  -0.00
    19   6    -0.00  -0.02  -0.00    -0.00   0.02   0.01    -0.01  -0.01   0.01
    20   6     0.01  -0.02  -0.00    -0.01   0.01   0.01    -0.01  -0.01   0.01
    21   6     0.01  -0.02   0.00     0.00   0.02   0.03    -0.01  -0.01   0.01
    22   6    -0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.02   0.01
    23   6     0.02  -0.03  -0.00    -0.01   0.02   0.03    -0.02   0.00   0.01
    24   6     0.01  -0.04   0.00    -0.06  -0.00   0.03    -0.00   0.01   0.00
    25   6     0.06  -0.10   0.00    -0.06  -0.05   0.03    -0.05   0.06   0.00
    26   6    -0.04   0.10  -0.01    -0.03   0.03  -0.05     0.03  -0.09   0.01
    27   6    -0.01  -0.02   0.02     0.11   0.06   0.04    -0.18  -0.05   0.02
    28   6    -0.02   0.01  -0.00     0.03  -0.01  -0.04    -0.01  -0.02  -0.00
    29   6    -0.02   0.03  -0.00     0.03  -0.03  -0.03     0.01  -0.03  -0.00
    30   9    -0.02   0.05  -0.01     0.05  -0.11   0.01     0.02  -0.04   0.00
    31   8    -0.02   0.01  -0.01     0.02  -0.01  -0.03    -0.00   0.02  -0.00
    32   9    -0.02   0.06  -0.00     0.01  -0.01  -0.01     0.01  -0.00  -0.00
    33   9    -0.01   0.02  -0.00    -0.00   0.01  -0.01     0.04  -0.06   0.01
    34   9     0.01  -0.02  -0.00     0.00  -0.01  -0.01     0.04  -0.06  -0.01
    35   9     0.02  -0.06  -0.00    -0.01   0.01  -0.01     0.01  -0.00   0.00
    36   1     0.00  -0.03   0.01    -0.09   0.02   0.08     0.01   0.00  -0.02
    37   1     0.01  -0.04   0.00    -0.10  -0.05  -0.00     0.01   0.03   0.01
    38   1     0.02  -0.03  -0.01    -0.01   0.06   0.02    -0.02  -0.01   0.03
    39   1     0.02  -0.04  -0.00     0.01   0.00   0.03    -0.04   0.01   0.01
    40   1    -0.00  -0.03  -0.01     0.01   0.02   0.03     0.01  -0.00   0.02
    41   1     0.10  -0.19   0.01    -0.12   0.10   0.06    -0.03   0.02   0.02
    42   1    -0.00  -0.13  -0.04     0.08  -0.12  -0.05    -0.11   0.10   0.06
    43   1     0.13  -0.06   0.06    -0.17  -0.20   0.11    -0.04   0.11  -0.08
    44   1     0.02  -0.06   0.02    -0.02   0.06  -0.06     0.00  -0.02  -0.00
    45   1    -0.01   0.24  -0.23    -0.02   0.04  -0.05    -0.00  -0.18   0.13
    46   1    -0.18   0.24   0.16    -0.07   0.02  -0.06     0.12  -0.17  -0.08
    47   1     0.14   0.05   0.15     0.28   0.18   0.15    -0.32  -0.21  -0.02
    48   1     0.02  -0.08  -0.17     0.21  -0.08  -0.07    -0.29   0.11   0.09
    49   1    -0.21  -0.02   0.10    -0.04   0.13   0.10    -0.11  -0.10  -0.01
    50   1     0.00   0.13  -0.04    -0.08   0.12  -0.05    -0.11   0.10  -0.06
    51   1    -0.10   0.19   0.01     0.12  -0.10   0.06    -0.03   0.02  -0.02
    52   1    -0.13   0.07   0.06     0.17   0.20   0.11    -0.04   0.11   0.08
    53   1     0.18  -0.24   0.16     0.07  -0.02  -0.06     0.12  -0.17   0.08
    54   1     0.01  -0.24  -0.23     0.02  -0.04  -0.06    -0.00  -0.18  -0.13
    55   1    -0.02   0.06   0.02     0.02  -0.06  -0.06     0.00  -0.02   0.00
    56   1    -0.02   0.03  -0.01     0.01  -0.06   0.02    -0.02  -0.01  -0.03
    57   1    -0.02   0.04  -0.00    -0.01  -0.00   0.03    -0.04   0.01  -0.01
    58   1    -0.01   0.05   0.00     0.10   0.05  -0.00     0.01   0.03  -0.01
    59   1    -0.00   0.03   0.01     0.09  -0.02   0.08     0.01   0.00   0.02
    60   1     0.00   0.03  -0.01    -0.01  -0.02   0.03     0.01  -0.00  -0.02
    61   1    -0.02   0.08  -0.17    -0.21   0.09  -0.07    -0.29   0.11  -0.09
    62   1    -0.14  -0.05   0.15    -0.28  -0.18   0.15    -0.32  -0.21   0.02
    63   1     0.21   0.02   0.10     0.04  -0.13   0.10    -0.11  -0.10   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    228.1403               228.6376               232.9474
 Red. masses --      1.1402                 1.2269                 4.4071
 Frc consts  --      0.0350                 0.0378                 0.1409
 IR Inten    --      0.0550                 0.1437                 3.4858
 RamAct Fr= 1--      0.1113                 0.5396                 0.0265
  Dep-P Fr= 1--      0.7365                 0.1154                 0.7497
  Dep-U Fr= 1--      0.8482                 0.2070                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0091                 0.0000
 Beta2  Fr= 1--      0.0157                 0.0186                 0.0038
 AlphaG Fr= 1--      0.0001                 0.0704                 0.0000
 Gamma2 Fr= 1--     -0.2785                 0.7351                 1.0947
 Delta2 Fr= 1--     -0.0494                 0.0709                -0.0169
 Raman1 Fr= 1--       0.445                  2.159                  0.106
 ROA1   Fr= 1--     -28.317                 72.835                104.553
 CID1   Fr= 1--     -63.600                 33.742                984.809
 Raman2 Fr= 1--       0.189                  0.223                  0.045
 ROA2   Fr= 1--      -6.289                 17.074                 26.409
 CID2   Fr= 1--     -33.304                 76.437                580.559
 Raman3 Fr= 1--       0.378                  0.447                  0.091
 ROA3   Fr= 1--     -28.317                 72.835                104.553
 CID3   Fr= 1--     -74.978                163.031               1149.201
 RC180  Fr= 1--       0.696                 -0.586                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.02     0.03  -0.00   0.02    -0.10  -0.01  -0.02
     2   6     0.01   0.01   0.01     0.01   0.00   0.01    -0.03   0.01   0.00
     3   6     0.01   0.00   0.01     0.01  -0.00   0.01    -0.03   0.00   0.04
     4   6     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
     5   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.00    -0.02   0.01   0.01
     6   6    -0.01  -0.01  -0.01    -0.01  -0.02  -0.01    -0.12  -0.02  -0.03
     7   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.04   0.00   0.00
     8   8    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00   0.09  -0.04
     9  29    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.08   0.08  -0.00
    10   8     0.00   0.01  -0.01     0.00   0.01  -0.01     0.01  -0.01  -0.04
    11   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.01  -0.02   0.01
    12   6     0.00   0.00   0.00    -0.00   0.01  -0.00     0.03  -0.05   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.02   0.00     0.05  -0.10  -0.01
    14   6    -0.03   0.01  -0.03    -0.06  -0.00  -0.03     0.12   0.04   0.03
    15   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.08   0.07   0.03
    16   6     0.02  -0.03   0.00     0.03  -0.03   0.00    -0.07  -0.05  -0.02
    17   8     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00   0.09   0.04
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    19   6    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.02   0.01  -0.01
    20   6     0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.04   0.00  -0.00
    21   6     0.01   0.01  -0.01    -0.01  -0.00   0.01    -0.03   0.01  -0.00
    22   6     0.01   0.00  -0.01    -0.01   0.00   0.01    -0.03   0.00  -0.04
    23   6     0.03   0.00  -0.02    -0.03   0.00   0.02    -0.10  -0.01   0.02
    24   6    -0.01  -0.01   0.01     0.01   0.01  -0.00    -0.12  -0.02   0.03
    25   6     0.02  -0.03  -0.00    -0.03   0.03   0.00    -0.07  -0.05   0.02
    26   6     0.01   0.00   0.00    -0.01   0.00  -0.01    -0.08   0.07  -0.03
    27   6    -0.04   0.01   0.03     0.05   0.00  -0.03     0.12   0.03  -0.03
    28   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.01  -0.02  -0.01
    29   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.03  -0.05  -0.01
    30   9     0.00  -0.00  -0.00     0.01  -0.02   0.00     0.05  -0.10   0.01
    31   8     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.01  -0.01   0.04
    32   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00     0.03  -0.06  -0.00
    33   9    -0.00   0.01  -0.00     0.01  -0.01   0.00     0.03  -0.05  -0.00
    34   9    -0.00   0.01   0.00    -0.01   0.01   0.00     0.03  -0.05   0.00
    35   9    -0.00   0.01   0.00    -0.01   0.01  -0.00     0.03  -0.06   0.00
    36   1    -0.04   0.01   0.04     0.03  -0.00  -0.03    -0.15  -0.00   0.13
    37   1    -0.03  -0.06   0.00     0.02   0.05  -0.00    -0.19  -0.07  -0.03
    38   1     0.03   0.03  -0.06    -0.03  -0.02   0.06    -0.10   0.02   0.06
    39   1     0.07  -0.01  -0.01    -0.07   0.02   0.01    -0.11  -0.04  -0.00
    40   1     0.01   0.01  -0.03    -0.01  -0.01   0.03    -0.02   0.01   0.01
    41   1    -0.10   0.27  -0.05     0.08  -0.24   0.05    -0.09  -0.01   0.05
    42   1     0.35  -0.13  -0.11    -0.33   0.12   0.11    -0.05  -0.09  -0.03
    43   1    -0.17  -0.30   0.16     0.14   0.27  -0.15    -0.11  -0.11   0.06
    44   1    -0.07   0.17  -0.02     0.06  -0.15   0.02    -0.11   0.13  -0.04
    45   1     0.04  -0.06   0.19    -0.04   0.06  -0.18    -0.02   0.11  -0.01
    46   1     0.06  -0.12  -0.14    -0.06   0.11   0.12    -0.14   0.05  -0.06
    47   1    -0.00   0.00   0.08     0.03   0.02  -0.07     0.24   0.17   0.01
    48   1    -0.04   0.01  -0.02     0.07  -0.02   0.02     0.21  -0.11  -0.10
    49   1    -0.10   0.01   0.05     0.11   0.01  -0.05     0.05   0.07  -0.00
    50   1     0.32  -0.12   0.11     0.36  -0.13   0.12    -0.04  -0.10   0.04
    51   1    -0.10   0.25   0.04    -0.09   0.26   0.05    -0.09  -0.01  -0.05
    52   1    -0.15  -0.28  -0.15    -0.15  -0.29  -0.16    -0.11  -0.11  -0.06
    53   1     0.05  -0.11   0.13     0.07  -0.12   0.13    -0.13   0.05   0.06
    54   1     0.04  -0.06  -0.18     0.04  -0.07  -0.20    -0.02   0.11   0.00
    55   1    -0.07   0.16   0.02    -0.07   0.16   0.02    -0.11   0.14   0.04
    56   1     0.03   0.03   0.05     0.03   0.02   0.06    -0.10   0.02  -0.06
    57   1     0.06  -0.01   0.01     0.07  -0.02   0.01    -0.11  -0.04   0.00
    58   1    -0.03  -0.06  -0.00    -0.02  -0.06  -0.01    -0.19  -0.07   0.03
    59   1    -0.04   0.01  -0.04    -0.03   0.01  -0.03    -0.15  -0.00  -0.13
    60   1     0.01   0.01   0.03     0.01   0.01   0.03    -0.02   0.01  -0.01
    61   1    -0.03   0.00   0.02    -0.07   0.02   0.02     0.21  -0.11   0.10
    62   1     0.00   0.00  -0.07    -0.03  -0.02  -0.08     0.24   0.17  -0.01
    63   1    -0.09   0.01  -0.05    -0.12  -0.01  -0.05     0.05   0.07  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    236.6287               251.8655               255.6901
 Red. masses --      3.5713                 2.9348                 2.9903
 Frc consts  --      0.1178                 0.1097                 0.1152
 IR Inten    --      2.7494                 5.1001                 0.9391
 RamAct Fr= 1--      2.3243                 1.5144                 6.7759
  Dep-P Fr= 1--      0.1687                 0.7494                 0.1679
  Dep-U Fr= 1--      0.2888                 0.8568                 0.2875
 Alpha2 Fr= 1--      0.0343                 0.0000                 0.1001
 Beta2  Fr= 1--      0.1119                 0.2162                 0.3246
 AlphaG Fr= 1--     -0.0559                 0.0001                 1.0955
 Gamma2 Fr= 1--    -25.8788                -4.2299                10.5922
 Delta2 Fr= 1--      0.1086                 2.2686                -2.8889
 Raman1 Fr= 1--       9.297                  6.058                 27.103
 ROA1   Fr= 1--   -2480.887               -333.478                924.408
 CID1   Fr= 1--    -266.837                -55.050                 34.107
 Raman2 Fr= 1--       1.342                  2.595                  3.896
 ROA2   Fr= 1--    -621.959               -119.666                277.324
 CID2   Fr= 1--    -463.343                -46.114                 71.189
 Raman3 Fr= 1--       2.685                  5.190                  7.791
 ROA3   Fr= 1--   -2480.887               -333.478                924.408
 CID3   Fr= 1--    -924.098                -64.254                118.648
 RC180  Fr= 1--      -0.422                  0.714                 -0.425
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.02    -0.08   0.01  -0.02     0.09  -0.01   0.01
     2   6     0.02  -0.00  -0.03    -0.02   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.02  -0.01  -0.02    -0.01   0.02   0.04     0.01  -0.02  -0.05
     4   6     0.03  -0.02   0.02    -0.00   0.02   0.02     0.02  -0.03  -0.01
     5   6     0.01  -0.00  -0.01    -0.01   0.03   0.02     0.01  -0.03  -0.03
     6   6     0.07   0.03   0.01     0.01   0.03   0.03    -0.01  -0.04  -0.04
     7   6     0.02  -0.01  -0.01     0.00  -0.00   0.02     0.00  -0.00  -0.03
     8   8     0.02  -0.04   0.15    -0.00   0.02  -0.02     0.02  -0.04   0.06
     9  29    -0.00   0.00  -0.07     0.05  -0.04  -0.00    -0.00   0.00  -0.03
    10   8    -0.01   0.02   0.02     0.02  -0.01  -0.05    -0.02  -0.00   0.05
    11   6    -0.01   0.01   0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
    12   6    -0.02   0.02   0.03     0.01   0.02   0.02    -0.03   0.01  -0.00
    13   9    -0.00  -0.01   0.01     0.02  -0.03   0.00    -0.03   0.05   0.01
    14   6    -0.16  -0.02  -0.07    -0.06   0.08  -0.13     0.04  -0.09   0.12
    15   6     0.06  -0.09   0.00     0.02  -0.06   0.03    -0.02   0.06  -0.03
    16   6     0.01   0.01  -0.01     0.04  -0.11   0.01    -0.05   0.11  -0.02
    17   8    -0.02   0.04   0.15    -0.00   0.02   0.02    -0.02   0.04   0.06
    18   6    -0.03   0.02   0.02    -0.00   0.03  -0.02    -0.02   0.03  -0.01
    19   6    -0.01   0.00  -0.01    -0.01   0.03  -0.02    -0.01   0.03  -0.03
    20   6    -0.02   0.01  -0.01     0.00  -0.00  -0.02    -0.00   0.00  -0.03
    21   6    -0.02   0.00  -0.02    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    22   6    -0.02   0.01  -0.02    -0.01   0.02  -0.05    -0.01   0.02  -0.05
    23   6    -0.03  -0.02  -0.02    -0.08   0.01   0.02    -0.08   0.01   0.01
    24   6    -0.07  -0.03   0.01     0.01   0.03  -0.03     0.01   0.04  -0.04
    25   6    -0.01  -0.01  -0.01     0.04  -0.11  -0.01     0.05  -0.11  -0.02
    26   6    -0.06   0.09   0.00     0.02  -0.06  -0.03     0.02  -0.06  -0.03
    27   6     0.16   0.02  -0.07    -0.06   0.08   0.13    -0.03   0.09   0.12
    28   6     0.01  -0.01   0.03     0.02   0.01  -0.02     0.02   0.01  -0.00
    29   6     0.02  -0.02   0.03     0.01   0.02  -0.02     0.03  -0.01  -0.00
    30   9     0.00   0.01   0.01     0.02  -0.03  -0.00     0.03  -0.05   0.01
    31   8     0.01  -0.02   0.02     0.02  -0.01   0.05     0.02   0.00   0.05
    32   9     0.03  -0.08   0.02    -0.00   0.01  -0.01     0.03  -0.05  -0.00
    33   9     0.01  -0.02   0.01    -0.03   0.06  -0.02    -0.01   0.02  -0.01
    34   9    -0.01   0.02   0.01    -0.03   0.06   0.02     0.01  -0.02  -0.01
    35   9    -0.03   0.08   0.02    -0.00   0.01   0.01    -0.03   0.05  -0.00
    36   1    -0.10  -0.01   0.09     0.06  -0.01  -0.08     0.07  -0.01  -0.10
    37   1    -0.11  -0.08  -0.02     0.03   0.12  -0.03     0.03   0.13  -0.04
    38   1    -0.03   0.01  -0.02    -0.09  -0.05   0.11    -0.09  -0.05   0.10
    39   1    -0.01  -0.04  -0.02    -0.18   0.03  -0.01    -0.19   0.03  -0.02
    40   1    -0.02   0.00  -0.03    -0.01   0.02   0.01    -0.02   0.02   0.00
    41   1    -0.06   0.11  -0.03     0.10  -0.26   0.01     0.11  -0.24  -0.01
    42   1     0.13  -0.05  -0.06    -0.08  -0.14  -0.05    -0.04  -0.14  -0.07
    43   1    -0.08  -0.12   0.07     0.14  -0.04   0.03     0.15  -0.05   0.04
    44   1    -0.11   0.15   0.00     0.06  -0.12  -0.03     0.05  -0.11  -0.02
    45   1     0.01   0.13   0.05    -0.03  -0.09  -0.07    -0.03  -0.08  -0.06
    46   1    -0.10   0.06  -0.02     0.05  -0.04  -0.01     0.06  -0.04  -0.01
    47   1     0.25   0.18  -0.10    -0.04  -0.02   0.24    -0.00   0.01   0.23
    48   1     0.26  -0.13  -0.12    -0.08   0.11   0.15    -0.04   0.10   0.17
    49   1     0.15   0.02  -0.07    -0.13   0.19   0.15    -0.09   0.22   0.13
    50   1    -0.13   0.06  -0.06    -0.08  -0.14   0.05     0.04   0.15  -0.07
    51   1     0.06  -0.11  -0.03     0.10  -0.26  -0.01    -0.11   0.24  -0.01
    52   1     0.08   0.12   0.07     0.14  -0.04  -0.03    -0.15   0.05   0.04
    53   1     0.10  -0.06  -0.02     0.05  -0.04   0.01    -0.06   0.04  -0.01
    54   1    -0.01  -0.13   0.05    -0.03  -0.09   0.07     0.03   0.08  -0.06
    55   1     0.11  -0.15   0.00     0.06  -0.12   0.03    -0.05   0.11  -0.02
    56   1     0.03  -0.01  -0.02    -0.09  -0.05  -0.11     0.09   0.05   0.11
    57   1     0.01   0.04  -0.02    -0.18   0.02   0.01     0.19  -0.03  -0.02
    58   1     0.11   0.09  -0.02     0.03   0.12   0.03    -0.03  -0.13  -0.04
    59   1     0.10   0.01   0.09     0.06  -0.01   0.08    -0.07   0.01  -0.10
    60   1     0.02  -0.00  -0.03    -0.01   0.02  -0.01     0.02  -0.02   0.00
    61   1    -0.26   0.13  -0.12    -0.08   0.11  -0.15     0.04  -0.10   0.17
    62   1    -0.25  -0.18  -0.10    -0.04  -0.02  -0.24     0.00  -0.01   0.24
    63   1    -0.15  -0.02  -0.07    -0.13   0.19  -0.14     0.09  -0.23   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    264.9147               270.2058               275.5423
 Red. masses --     11.5054                 7.2153                 8.8991
 Frc consts  --      0.4757                 0.3104                 0.3981
 IR Inten    --     31.8647                17.9328                 4.4600
 RamAct Fr= 1--      0.3072                 0.3490                10.8333
  Dep-P Fr= 1--      0.7499                 0.7500                 0.4078
  Dep-U Fr= 1--      0.8571                 0.8571                 0.5794
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0780
 Beta2  Fr= 1--      0.0439                 0.0499                 1.0461
 AlphaG Fr= 1--     -0.0000                 0.0000                 4.0519
 Gamma2 Fr= 1--      1.0598                -1.4117                 5.7275
 Delta2 Fr= 1--      0.8578                -0.7790                -1.1453
 Raman1 Fr= 1--       1.229                  1.396                 43.333
 ROA1   Fr= 1--     129.193               -160.452                513.186
 CID1   Fr= 1--     105.147               -114.940                 11.843
 Raman2 Fr= 1--       0.527                  0.598                 12.553
 ROA2   Fr= 1--      18.573                -27.649                146.622
 CID2   Fr= 1--      35.275                -46.215                 11.680
 Raman3 Fr= 1--       1.053                  1.197                 25.107
 ROA3   Fr= 1--     129.193               -160.452                513.186
 CID3   Fr= 1--     122.682               -134.097                 20.440
 RC180  Fr= 1--       0.714                  0.714                  0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07   0.02     0.00  -0.04  -0.04     0.01   0.01   0.03
     2   6    -0.02  -0.03   0.03     0.03  -0.02  -0.02    -0.00  -0.00   0.01
     3   6    -0.02   0.00   0.01     0.03  -0.01   0.00     0.00   0.01  -0.01
     4   6     0.01   0.00   0.04     0.04  -0.02  -0.03    -0.01  -0.01   0.07
     5   6    -0.01  -0.03   0.03     0.01  -0.02  -0.05    -0.02  -0.01   0.05
     6   6    -0.11  -0.09  -0.03    -0.02  -0.04  -0.07    -0.08  -0.04   0.02
     7   6    -0.02  -0.02   0.02     0.00  -0.01  -0.04     0.00  -0.01   0.04
     8   8     0.02   0.04  -0.03     0.04  -0.04   0.02    -0.01  -0.01   0.04
     9  29     0.23  -0.06  -0.00     0.11  -0.07  -0.00     0.00  -0.00  -0.08
    10   8     0.01  -0.07   0.18     0.01   0.01  -0.14     0.01  -0.04   0.28
    11   6     0.01   0.02  -0.05     0.01   0.01   0.05     0.01   0.01  -0.04
    12   6    -0.02   0.08  -0.10    -0.03   0.05   0.09     0.02   0.02  -0.12
    13   9    -0.11   0.28   0.01     0.01  -0.07   0.03    -0.06   0.22  -0.01
    14   6    -0.07  -0.05   0.04    -0.02  -0.10   0.11    -0.02   0.04  -0.06
    15   6    -0.03  -0.01  -0.01    -0.02   0.03   0.00     0.03  -0.06   0.01
    16   6    -0.03   0.01   0.03    -0.10   0.02  -0.07     0.03   0.02   0.06
    17   8     0.02   0.04   0.03     0.04  -0.04  -0.02     0.01   0.01   0.04
    18   6     0.01   0.00  -0.04     0.04  -0.02   0.03     0.01   0.01   0.07
    19   6    -0.01  -0.03  -0.03     0.01  -0.02   0.05     0.02   0.01   0.05
    20   6    -0.02  -0.02  -0.02     0.00  -0.01   0.04    -0.00   0.01   0.04
    21   6    -0.02  -0.03  -0.03     0.03  -0.02   0.02     0.00   0.00   0.01
    22   6    -0.02   0.00  -0.01     0.03  -0.01  -0.00    -0.00  -0.01  -0.01
    23   6    -0.04  -0.07  -0.02     0.00  -0.04   0.04    -0.01  -0.01   0.03
    24   6    -0.11  -0.09   0.03    -0.02  -0.04   0.07     0.08   0.04   0.02
    25   6    -0.03   0.01  -0.03    -0.10   0.02   0.07    -0.03  -0.02   0.06
    26   6    -0.03  -0.01   0.01    -0.02   0.03  -0.00    -0.03   0.06   0.01
    27   6    -0.07  -0.05  -0.04    -0.02  -0.10  -0.11     0.02  -0.04  -0.06
    28   6     0.01   0.02   0.05     0.01   0.01  -0.05    -0.01  -0.01  -0.04
    29   6    -0.02   0.08   0.10    -0.03   0.05  -0.09    -0.02  -0.02  -0.12
    30   9    -0.11   0.28  -0.01     0.01  -0.07  -0.03     0.06  -0.22  -0.01
    31   8     0.01  -0.07  -0.18     0.01   0.01   0.14    -0.01   0.04   0.28
    32   9     0.02  -0.10   0.07    -0.08   0.22  -0.05    -0.07   0.21  -0.07
    33   9    -0.05   0.09   0.05    -0.07   0.10  -0.06    -0.01  -0.01  -0.07
    34   9    -0.05   0.09  -0.05    -0.07   0.10   0.06     0.01   0.01  -0.07
    35   9     0.02  -0.10  -0.07    -0.08   0.22   0.05     0.07  -0.21  -0.07
    36   1    -0.18  -0.05   0.16    -0.04  -0.03   0.12     0.15  -0.02  -0.05
    37   1    -0.20  -0.21  -0.03    -0.05  -0.08   0.05     0.14   0.12   0.06
    38   1    -0.04  -0.01  -0.02     0.00  -0.02   0.04    -0.01  -0.08   0.06
    39   1     0.00  -0.12  -0.03     0.01  -0.06   0.03    -0.07   0.01   0.02
    40   1    -0.04  -0.04  -0.04     0.04  -0.01   0.01     0.02   0.01   0.01
    41   1    -0.04   0.04  -0.03    -0.10   0.03   0.13    -0.03  -0.02   0.09
    42   1    -0.01   0.03  -0.01    -0.15   0.04   0.09    -0.05  -0.04   0.03
    43   1    -0.06   0.00  -0.05    -0.14   0.03  -0.01    -0.04  -0.03   0.06
    44   1    -0.04  -0.06   0.03    -0.04   0.11  -0.02    -0.08   0.21  -0.02
    45   1    -0.01   0.02  -0.03     0.01   0.03   0.05     0.03   0.05   0.14
    46   1    -0.04   0.03   0.06    -0.06  -0.02  -0.06    -0.05  -0.03  -0.10
    47   1    -0.05  -0.06  -0.01    -0.05  -0.04  -0.20    -0.02   0.01  -0.16
    48   1    -0.10  -0.02  -0.11    -0.04  -0.07  -0.19     0.01  -0.03  -0.09
    49   1    -0.13  -0.10  -0.01    -0.00  -0.27  -0.10     0.07  -0.15  -0.08
    50   1    -0.01   0.03   0.01    -0.15   0.04  -0.09     0.04   0.04   0.03
    51   1    -0.05   0.04   0.03    -0.10   0.03  -0.13     0.03   0.02   0.09
    52   1    -0.06   0.00   0.05    -0.14   0.03   0.01     0.04   0.03   0.06
    53   1    -0.04   0.03  -0.06    -0.06  -0.02   0.06     0.05   0.03  -0.10
    54   1    -0.01   0.02   0.03     0.01   0.03  -0.05    -0.03  -0.05   0.14
    55   1    -0.04  -0.05  -0.03    -0.04   0.11   0.02     0.08  -0.21  -0.02
    56   1    -0.04  -0.01   0.02     0.00  -0.02  -0.04     0.01   0.08   0.06
    57   1     0.00  -0.12   0.03     0.01  -0.06  -0.03     0.07  -0.01   0.02
    58   1    -0.20  -0.21   0.03    -0.05  -0.08  -0.05    -0.15  -0.12   0.06
    59   1    -0.18  -0.05  -0.16    -0.04  -0.03  -0.12    -0.15   0.02  -0.05
    60   1    -0.04  -0.04   0.04     0.04  -0.01  -0.01    -0.02  -0.01   0.01
    61   1    -0.10  -0.02   0.11    -0.04  -0.07   0.19    -0.01   0.03  -0.09
    62   1    -0.05  -0.06   0.01    -0.05  -0.04   0.20     0.02  -0.01  -0.16
    63   1    -0.13  -0.10   0.01    -0.00  -0.27   0.10    -0.07   0.15  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    285.6241               289.2347               308.7917
 Red. masses --      4.6184                 5.4161                 4.4987
 Frc consts  --      0.2220                 0.2670                 0.2527
 IR Inten    --      0.1571                12.3223                 1.0010
 RamAct Fr= 1--      6.1353                 0.0677                 0.6853
  Dep-P Fr= 1--      0.4379                 0.7471                 0.7499
  Dep-U Fr= 1--      0.6091                 0.8553                 0.8571
 Alpha2 Fr= 1--      0.0395                 0.0000                 0.0000
 Beta2  Fr= 1--      0.6228                 0.0097                 0.0979
 AlphaG Fr= 1--      0.2613                -0.0000                -0.0000
 Gamma2 Fr= 1--     10.9030                -2.4427                11.2597
 Delta2 Fr= 1--      1.5059                -0.6959                -0.1637
 Raman1 Fr= 1--      24.541                  0.271                  2.741
 ROA1   Fr= 1--    1094.877               -256.773               1075.688
 CID1   Fr= 1--      44.614               -948.043                392.420
 Raman2 Fr= 1--       7.474                  0.116                  1.175
 ROA2   Fr= 1--     249.625                -53.058                271.542
 CID2   Fr= 1--      33.399               -458.105                231.158
 Raman3 Fr= 1--      14.948                  0.232                  2.349
 ROA3   Fr= 1--    1094.877               -256.773               1075.688
 CID3   Fr= 1--      73.246              -1108.490                457.855
 RC180  Fr= 1--       0.218                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.03   0.02   0.03     0.03  -0.10   0.04
     2   6     0.04  -0.01   0.00    -0.05   0.00  -0.00    -0.08  -0.02   0.03
     3   6     0.06   0.00   0.04    -0.07  -0.00  -0.03    -0.06   0.05  -0.03
     4   6     0.03  -0.02   0.01    -0.02   0.03  -0.02    -0.05   0.06  -0.04
     5   6     0.00  -0.03  -0.01    -0.00   0.02  -0.00    -0.02   0.01  -0.03
     6   6    -0.12  -0.08  -0.07     0.13   0.07   0.06     0.13  -0.03   0.01
     7   6     0.02  -0.02  -0.01    -0.02   0.01   0.00    -0.05  -0.01  -0.01
     8   8     0.02  -0.03  -0.04    -0.01   0.06   0.05    -0.05   0.07   0.06
     9  29    -0.00   0.00   0.02     0.11  -0.03  -0.00    -0.00   0.00  -0.00
    10   8     0.06   0.06  -0.02    -0.06  -0.09  -0.02     0.00  -0.03   0.00
    11   6     0.07   0.04   0.01    -0.07  -0.04  -0.01     0.00   0.02  -0.00
    12   6     0.05   0.06   0.01    -0.06  -0.04   0.00     0.06   0.02   0.00
    13   9     0.06   0.01  -0.01    -0.07  -0.01   0.02     0.09  -0.05  -0.03
    14   6    -0.05  -0.07   0.05     0.03   0.04  -0.02    -0.04  -0.04   0.06
    15   6     0.02  -0.06   0.04    -0.04   0.08  -0.05    -0.07   0.03  -0.11
    16   6    -0.08  -0.02  -0.04     0.06   0.01   0.02     0.01  -0.03  -0.00
    17   8    -0.02   0.03  -0.04    -0.01   0.06  -0.05    -0.04   0.07  -0.05
    18   6    -0.03   0.02   0.01    -0.02   0.03   0.02    -0.05   0.05   0.03
    19   6    -0.00   0.03  -0.01    -0.00   0.02   0.00    -0.02   0.01   0.03
    20   6    -0.02   0.02  -0.01    -0.02   0.01  -0.00    -0.05  -0.01   0.01
    21   6    -0.04   0.01   0.00    -0.05   0.00   0.00    -0.07  -0.02  -0.03
    22   6    -0.06  -0.00   0.04    -0.07  -0.00   0.03    -0.06   0.05   0.03
    23   6     0.04   0.05  -0.04     0.03   0.02  -0.03     0.02  -0.09  -0.04
    24   6     0.12   0.08  -0.07     0.13   0.07  -0.06     0.12  -0.03  -0.01
    25   6     0.08   0.02  -0.04     0.06   0.01  -0.02     0.01  -0.03   0.00
    26   6    -0.02   0.06   0.04    -0.04   0.08   0.05    -0.06   0.03   0.10
    27   6     0.05   0.07   0.05     0.03   0.04   0.02    -0.04  -0.03  -0.06
    28   6    -0.07  -0.04   0.01    -0.07  -0.04   0.01     0.00   0.02   0.00
    29   6    -0.05  -0.06   0.01    -0.06  -0.04  -0.00     0.06   0.02  -0.00
    30   9    -0.06  -0.01  -0.01    -0.07  -0.01  -0.02     0.08  -0.04   0.03
    31   8    -0.06  -0.06  -0.02    -0.06  -0.09   0.02     0.00  -0.02  -0.00
    32   9    -0.06   0.01   0.02    -0.09   0.06   0.01     0.08  -0.07  -0.02
    33   9     0.07  -0.18   0.02     0.05  -0.15   0.01    -0.04   0.11  -0.01
    34   9    -0.07   0.18   0.02     0.05  -0.15  -0.01    -0.04   0.12   0.01
    35   9     0.06  -0.01   0.02    -0.09   0.06  -0.01     0.08  -0.08   0.02
    36   1     0.18   0.04  -0.21     0.21   0.01  -0.20     0.20  -0.09  -0.10
    37   1     0.21   0.19  -0.01     0.24   0.20   0.01     0.22   0.05   0.07
    38   1     0.05  -0.01  -0.08     0.04  -0.06  -0.07     0.03  -0.18  -0.06
    39   1     0.04   0.12   0.01     0.01   0.09   0.01    -0.01  -0.06  -0.03
    40   1    -0.05   0.01   0.01    -0.07  -0.00  -0.01    -0.13  -0.05  -0.09
    41   1     0.06   0.07  -0.11     0.04   0.07  -0.09     0.02  -0.05  -0.03
    42   1     0.19   0.00  -0.05     0.16  -0.01  -0.04     0.03  -0.05  -0.02
    43   1     0.08  -0.03   0.04     0.06  -0.04   0.05     0.04  -0.03   0.06
    44   1    -0.06   0.11   0.03    -0.11   0.18   0.04    -0.14   0.05   0.12
    45   1     0.02   0.07   0.09     0.03   0.10   0.15    -0.00   0.05   0.16
    46   1    -0.03   0.03   0.00    -0.06   0.03  -0.01    -0.05   0.03   0.10
    47   1     0.05   0.06   0.06     0.01   0.03  -0.00    -0.09  -0.01  -0.14
    48   1     0.08   0.04   0.15     0.04   0.03   0.09    -0.06   0.00  -0.09
    49   1     0.10   0.17   0.02     0.08   0.08  -0.00     0.01  -0.14  -0.07
    50   1    -0.19  -0.00  -0.05     0.16  -0.01   0.04     0.03  -0.05   0.02
    51   1    -0.06  -0.07  -0.11     0.04   0.07   0.09     0.02  -0.05   0.03
    52   1    -0.08   0.03   0.04     0.06  -0.04  -0.05     0.05  -0.03  -0.06
    53   1     0.03  -0.03   0.00    -0.06   0.03   0.01    -0.05   0.03  -0.11
    54   1    -0.02  -0.07   0.09     0.03   0.10  -0.15    -0.01   0.06  -0.18
    55   1     0.06  -0.11   0.03    -0.11   0.18  -0.04    -0.15   0.06  -0.14
    56   1    -0.05   0.01  -0.08     0.04  -0.06   0.07     0.03  -0.20   0.06
    57   1    -0.04  -0.12   0.01     0.01   0.09  -0.01    -0.01  -0.07   0.04
    58   1    -0.21  -0.20  -0.01     0.24   0.20  -0.01     0.24   0.06  -0.08
    59   1    -0.18  -0.04  -0.21     0.21   0.01   0.20     0.21  -0.10   0.11
    60   1     0.05  -0.01   0.01    -0.07  -0.00   0.01    -0.14  -0.05   0.10
    61   1    -0.08  -0.04   0.15     0.04   0.03  -0.09    -0.07   0.00   0.09
    62   1    -0.05  -0.06   0.06     0.01   0.03   0.00    -0.09  -0.01   0.15
    63   1    -0.10  -0.17   0.02     0.08   0.08   0.00     0.01  -0.15   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --    309.3359               322.3819               322.7662
 Red. masses --      4.5278                 1.9993                 2.0397
 Frc consts  --      0.2553                 0.1224                 0.1252
 IR Inten    --      0.2547                 0.5277                 1.7195
 RamAct Fr= 1--      1.5025                 1.7143                 0.1578
  Dep-P Fr= 1--      0.4319                 0.0185                 0.6675
  Dep-U Fr= 1--      0.6033                 0.0364                 0.8006
 Alpha2 Fr= 1--      0.0099                 0.0365                 0.0002
 Beta2  Fr= 1--      0.1511                 0.0104                 0.0211
 AlphaG Fr= 1--     -0.0584                 0.3974                 0.0021
 Gamma2 Fr= 1--     -5.3384                -4.2833                -4.8314
 Delta2 Fr= 1--      1.1833                -0.0918                -0.1537
 Raman1 Fr= 1--       6.010                  6.857                  0.631
 ROA1   Fr= 1--    -474.622               -414.136               -468.738
 CID1   Fr= 1--     -78.970                -60.393               -742.539
 Raman2 Fr= 1--       1.813                  0.125                  0.253
 ROA2   Fr= 1--    -137.588               -102.065               -114.725
 CID2   Fr= 1--     -75.892               -818.867               -454.005
 Raman3 Fr= 1--       3.626                  0.249                  0.505
 ROA3   Fr= 1--    -474.622               -414.136               -468.738
 CID3   Fr= 1--    -130.898              -1661.300               -927.479
 RC180  Fr= 1--       0.207                 -0.927                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.08  -0.05    -0.09  -0.05  -0.05     0.11   0.05   0.06
     2   6     0.08   0.02  -0.02     0.01  -0.01   0.00    -0.02   0.01  -0.00
     3   6     0.07  -0.05   0.05     0.02  -0.02   0.05    -0.03   0.03  -0.06
     4   6     0.06  -0.06   0.03     0.03  -0.01   0.01    -0.03   0.02  -0.01
     5   6     0.02  -0.01   0.03     0.02  -0.00  -0.02    -0.02   0.01   0.02
     6   6    -0.12   0.03  -0.01     0.07   0.01   0.01    -0.07  -0.02  -0.01
     7   6     0.06   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.01   0.01
     8   8     0.05  -0.07  -0.07     0.03  -0.02   0.02    -0.03   0.04  -0.01
     9  29     0.00   0.00   0.02     0.00  -0.00  -0.01     0.02  -0.00   0.00
    10   8    -0.00   0.03  -0.03     0.00   0.01   0.02    -0.01  -0.02  -0.02
    11   6     0.00  -0.01   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.01
    12   6    -0.05  -0.02  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.02
    13   9    -0.07   0.04   0.02    -0.01   0.04   0.00     0.01  -0.05  -0.00
    14   6     0.03   0.03  -0.05    -0.00  -0.02   0.00    -0.01   0.02  -0.00
    15   6     0.07  -0.02   0.12    -0.01   0.07   0.03     0.01  -0.07  -0.04
    16   6    -0.02   0.02  -0.01    -0.04   0.00  -0.02     0.04  -0.00   0.02
    17   8    -0.06   0.08  -0.08    -0.03   0.02   0.02    -0.02   0.03   0.01
    18   6    -0.06   0.06   0.03    -0.03   0.02   0.01    -0.03   0.02   0.01
    19   6    -0.03   0.01   0.03    -0.03   0.00  -0.02    -0.02   0.00  -0.02
    20   6    -0.06  -0.01   0.01    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01
    21   6    -0.08  -0.02  -0.03    -0.02   0.01   0.00    -0.02   0.01   0.00
    22   6    -0.07   0.06   0.05    -0.02   0.02   0.06    -0.02   0.02   0.06
    23   6     0.05  -0.09  -0.05     0.10   0.06  -0.06     0.09   0.05  -0.05
    24   6     0.13  -0.03  -0.02    -0.08  -0.02   0.01    -0.06  -0.02   0.01
    25   6     0.02  -0.02  -0.00     0.04  -0.00  -0.02     0.03  -0.00  -0.02
    26   6    -0.07   0.02   0.13     0.01  -0.07   0.04     0.01  -0.06   0.04
    27   6    -0.03  -0.03  -0.06     0.00   0.02   0.00    -0.01   0.02   0.00
    28   6     0.00   0.01   0.00    -0.01   0.00   0.01    -0.01   0.00   0.01
    29   6     0.05   0.02  -0.00     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    30   9     0.08  -0.04   0.03     0.01  -0.05   0.00     0.01  -0.04   0.00
    31   8     0.00  -0.04  -0.03    -0.01  -0.01   0.02    -0.01  -0.02   0.01
    32   9     0.07  -0.08  -0.02    -0.01   0.03  -0.01    -0.00   0.02  -0.01
    33   9    -0.04   0.11  -0.01    -0.00  -0.01  -0.02    -0.00   0.00  -0.01
    34   9     0.03  -0.10  -0.01     0.00   0.01  -0.02    -0.00  -0.00   0.02
    35   9    -0.07   0.07  -0.01     0.01  -0.02  -0.01    -0.00   0.02   0.01
    36   1     0.20  -0.09  -0.11    -0.20   0.09   0.12    -0.17   0.08   0.11
    37   1     0.24   0.04   0.08    -0.15  -0.20  -0.01    -0.13  -0.18  -0.01
    38   1     0.06  -0.17  -0.11     0.12   0.18  -0.24     0.11   0.15  -0.22
    39   1     0.05  -0.05  -0.03     0.31   0.03   0.02     0.28   0.02   0.02
    40   1    -0.16  -0.05  -0.10    -0.04  -0.00  -0.01    -0.05  -0.01  -0.01
    41   1     0.03  -0.05  -0.05     0.06  -0.05  -0.06     0.05  -0.04  -0.05
    42   1     0.05  -0.04  -0.02     0.02   0.01  -0.01     0.02   0.01  -0.01
    43   1     0.07  -0.02   0.05     0.09   0.03  -0.01     0.08   0.03  -0.01
    44   1    -0.15   0.02   0.16     0.09  -0.28   0.08     0.07  -0.24   0.08
    45   1    -0.01   0.06   0.16    -0.06  -0.05  -0.14    -0.05  -0.04  -0.12
    46   1    -0.05   0.04   0.15     0.05   0.06   0.20     0.03   0.05   0.18
    47   1    -0.09  -0.01  -0.14     0.01   0.02   0.01    -0.00   0.02   0.01
    48   1    -0.06   0.00  -0.08     0.01   0.00   0.02     0.00   0.01   0.01
    49   1     0.02  -0.13  -0.07     0.00   0.05   0.00    -0.01   0.04  -0.00
    50   1    -0.05   0.04  -0.02    -0.02  -0.01  -0.01     0.02   0.01   0.01
    51   1    -0.03   0.04  -0.05    -0.05   0.04  -0.05     0.06  -0.05   0.06
    52   1    -0.06   0.02   0.05    -0.08  -0.03  -0.01     0.09   0.03   0.01
    53   1     0.04  -0.04   0.14    -0.04  -0.05   0.17     0.04   0.06  -0.20
    54   1     0.01  -0.05   0.15     0.05   0.05  -0.12    -0.06  -0.04   0.13
    55   1     0.14  -0.01   0.15    -0.08   0.25   0.07     0.08  -0.28  -0.09
    56   1    -0.06   0.16  -0.10    -0.10  -0.16  -0.21     0.12   0.17   0.25
    57   1    -0.05   0.05  -0.03    -0.27  -0.03   0.02     0.32   0.03  -0.02
    58   1    -0.22  -0.04   0.07     0.13   0.18  -0.01    -0.14  -0.20   0.01
    59   1    -0.18   0.08  -0.11     0.18  -0.08   0.11    -0.20   0.09  -0.12
    60   1     0.15   0.05  -0.09     0.03   0.00  -0.00    -0.05  -0.01   0.01
    61   1     0.05  -0.00  -0.07    -0.01  -0.00   0.02     0.00   0.01  -0.02
    62   1     0.08   0.01  -0.13    -0.01  -0.02   0.01     0.00   0.02  -0.01
    63   1    -0.01   0.12  -0.07    -0.00  -0.05   0.00    -0.00   0.05   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    369.2201               383.2182               394.0338
 Red. masses --      4.3712                 3.3183                 2.7927
 Frc consts  --      0.3511                 0.2871                 0.2555
 IR Inten    --      0.0960                 5.9168                 0.0328
 RamAct Fr= 1--     20.4934                 0.3177                 2.5272
  Dep-P Fr= 1--      0.1237                 0.7484                 0.1107
  Dep-U Fr= 1--      0.2201                 0.8561                 0.1994
 Alpha2 Fr= 1--      0.3385                 0.0000                 0.0431
 Beta2  Fr= 1--      0.7518                 0.0453                 0.0840
 AlphaG Fr= 1--     -0.7347                 0.0000                 0.6013
 Gamma2 Fr= 1--      1.6242               -13.3966                 1.3230
 Delta2 Fr= 1--      0.4340                 0.3235                 0.7758
 Raman1 Fr= 1--      81.974                  1.271                 10.109
 ROA1   Fr= 1--     169.806              -1275.720                151.832
 CID1   Fr= 1--       2.071              -1003.981                 15.020
 Raman2 Fr= 1--       9.022                  0.544                  1.008
 ROA2   Fr= 1--      35.508               -324.106                 25.545
 CID2   Fr= 1--       3.936               -595.903                 25.351
 Raman3 Fr= 1--      18.044                  1.088                  2.015
 ROA3   Fr= 1--     169.806              -1275.720                151.832
 CID3   Fr= 1--       9.411              -1172.774                 75.339
 RC180  Fr= 1--      -0.560                  0.712                 -0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.00    -0.00  -0.06  -0.01    -0.02   0.00  -0.05
     2   6     0.01  -0.03  -0.02    -0.02   0.04   0.02    -0.03  -0.02  -0.05
     3   6     0.02  -0.05  -0.04    -0.03   0.05   0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.10  -0.01    -0.01   0.07  -0.00    -0.02   0.00  -0.03
     5   6    -0.05  -0.06   0.04     0.03   0.06  -0.06     0.00  -0.02  -0.02
     6   6     0.01   0.04   0.10     0.00  -0.03  -0.10    -0.01  -0.00  -0.03
     7   6    -0.04  -0.05   0.02     0.03   0.06  -0.03     0.01  -0.03  -0.01
     8   8    -0.03  -0.18  -0.03    -0.01   0.09   0.02    -0.02   0.02   0.01
     9  29    -0.00  -0.00   0.01    -0.02  -0.04   0.00    -0.00  -0.00   0.00
    10   8     0.00  -0.05  -0.02    -0.01  -0.02  -0.00    -0.04  -0.06  -0.01
    11   6     0.00  -0.03  -0.02    -0.01   0.02   0.02    -0.03  -0.01  -0.02
    12   6     0.01   0.03   0.01    -0.00  -0.01  -0.01     0.01   0.01   0.00
    13   9     0.03   0.03   0.00    -0.02  -0.01   0.00     0.03  -0.01  -0.01
    14   6     0.08   0.00  -0.07    -0.05   0.00   0.06     0.00  -0.04  -0.01
    15   6    -0.06  -0.00  -0.08     0.07  -0.00   0.13    -0.00   0.01   0.16
    16   6    -0.02   0.03   0.06     0.06  -0.01  -0.05     0.12   0.07   0.05
    17   8     0.03   0.18  -0.03    -0.01   0.09  -0.02     0.02  -0.02   0.01
    18   6     0.01   0.10  -0.01    -0.01   0.07   0.00     0.02  -0.00  -0.03
    19   6     0.05   0.06   0.04     0.03   0.06   0.06    -0.00   0.02  -0.02
    20   6     0.04   0.05   0.02     0.03   0.06   0.03    -0.01   0.03  -0.01
    21   6    -0.01   0.03  -0.02    -0.02   0.04  -0.02     0.03   0.02  -0.06
    22   6    -0.02   0.06  -0.04    -0.03   0.05  -0.04     0.04  -0.00  -0.06
    23   6    -0.00  -0.06   0.00     0.00  -0.06   0.01     0.02  -0.00  -0.05
    24   6    -0.01  -0.04   0.10     0.00  -0.03   0.10     0.01   0.00  -0.03
    25   6     0.02  -0.03   0.06     0.06  -0.01   0.05    -0.12  -0.07   0.05
    26   6     0.06   0.00  -0.08     0.07  -0.00  -0.13     0.00  -0.01   0.16
    27   6    -0.08  -0.00  -0.07    -0.05   0.00  -0.06    -0.00   0.04  -0.01
    28   6    -0.00   0.03  -0.02    -0.01   0.02  -0.02     0.03   0.01  -0.02
    29   6    -0.01  -0.03   0.01    -0.00  -0.01   0.01    -0.01  -0.01   0.01
    30   9    -0.03  -0.03   0.00    -0.02  -0.01  -0.00    -0.03   0.01  -0.01
    31   8    -0.00   0.05  -0.02    -0.01  -0.02   0.00     0.04   0.06  -0.01
    32   9    -0.02  -0.04   0.02    -0.02  -0.03   0.02    -0.02  -0.00   0.02
    33   9     0.06  -0.10   0.02     0.03  -0.05   0.01     0.03  -0.04   0.01
    34   9    -0.06   0.10   0.02     0.03  -0.05  -0.01    -0.03   0.04   0.01
    35   9     0.02   0.04   0.02    -0.02  -0.03  -0.02     0.02   0.00   0.02
    36   1    -0.02  -0.05   0.23     0.01  -0.05   0.20     0.01   0.01  -0.02
    37   1    -0.06  -0.14   0.07    -0.02  -0.10   0.10     0.02  -0.01  -0.02
    38   1     0.00  -0.06  -0.02     0.01  -0.06  -0.02     0.02  -0.01  -0.03
    39   1     0.02  -0.12  -0.02     0.02  -0.11  -0.01     0.01  -0.01  -0.06
    40   1    -0.05   0.02  -0.07    -0.04   0.03  -0.06     0.05   0.04  -0.10
    41   1     0.04  -0.10   0.10     0.09  -0.08   0.05    -0.11  -0.12   0.22
    42   1    -0.05  -0.08  -0.01     0.03  -0.06  -0.01    -0.25  -0.13  -0.04
    43   1     0.05  -0.02   0.10     0.12   0.00   0.12    -0.16  -0.10   0.03
    44   1     0.15  -0.00  -0.11     0.21   0.02  -0.19    -0.11  -0.13   0.24
    45   1    -0.00  -0.03  -0.13    -0.03  -0.07  -0.19     0.03   0.01   0.18
    46   1     0.04  -0.01  -0.10     0.03  -0.04  -0.17     0.13   0.07   0.26
    47   1    -0.12  -0.01  -0.12    -0.09   0.03  -0.14     0.00   0.03  -0.00
    48   1    -0.15   0.10  -0.20    -0.10   0.07  -0.18    -0.00   0.03  -0.01
    49   1    -0.11  -0.20  -0.04    -0.06  -0.19  -0.05    -0.01   0.05  -0.01
    50   1     0.05   0.08  -0.01     0.03  -0.06   0.01     0.25   0.13  -0.04
    51   1    -0.04   0.10   0.10     0.09  -0.08  -0.05     0.11   0.12   0.22
    52   1    -0.05   0.02   0.10     0.12   0.00  -0.12     0.15   0.10   0.03
    53   1    -0.04   0.01  -0.10     0.03  -0.04   0.17    -0.13  -0.07   0.25
    54   1     0.00   0.03  -0.13    -0.03  -0.07   0.19    -0.03  -0.01   0.18
    55   1    -0.15   0.00  -0.11     0.21   0.02   0.19     0.11   0.13   0.24
    56   1    -0.00   0.06  -0.02     0.01  -0.06   0.02    -0.02   0.01  -0.03
    57   1    -0.02   0.12  -0.02     0.02  -0.11   0.01    -0.01   0.01  -0.06
    58   1     0.06   0.14   0.07    -0.02  -0.10  -0.10    -0.02   0.01  -0.02
    59   1     0.02   0.05   0.23     0.01  -0.05  -0.20    -0.01  -0.01  -0.02
    60   1     0.05  -0.02  -0.07    -0.04   0.03   0.06    -0.05  -0.04  -0.09
    61   1     0.15  -0.10  -0.20    -0.10   0.07   0.18     0.00  -0.03  -0.01
    62   1     0.12   0.01  -0.11    -0.09   0.03   0.14    -0.00  -0.03  -0.00
    63   1     0.11   0.20  -0.04    -0.06  -0.19   0.05     0.00  -0.05  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --    394.6257               425.5768               446.2836
 Red. masses --      2.8783                 3.5301                 5.2212
 Frc consts  --      0.2641                 0.3767                 0.6127
 IR Inten    --      0.1958                 0.0127                 0.0923
 RamAct Fr= 1--      0.1999                17.9714                41.1630
  Dep-P Fr= 1--      0.7457                 0.4081                 0.2631
  Dep-U Fr= 1--      0.8543                 0.5796                 0.4165
 Alpha2 Fr= 1--      0.0000                 0.1293                 0.4702
 Beta2  Fr= 1--      0.0285                 1.7361                 2.8576
 AlphaG Fr= 1--     -0.0001                -1.3082                 2.6605
 Gamma2 Fr= 1--     -0.3145               -27.1137               -12.4950
 Delta2 Fr= 1--     -0.4301                -2.1790                 4.4431
 Raman1 Fr= 1--       0.800                 71.886                164.652
 ROA1   Fr= 1--     -43.952              -2672.644              -1057.341
 CID1   Fr= 1--     -54.957                -37.179                 -6.422
 Raman2 Fr= 1--       0.342                 20.833                 34.292
 ROA2   Fr= 1--      -4.106               -633.297               -335.424
 CID2   Fr= 1--     -12.019                -30.399                 -9.782
 Raman3 Fr= 1--       0.683                 41.666                 68.583
 ROA3   Fr= 1--     -43.952              -2672.644              -1057.341
 CID3   Fr= 1--     -64.328                -64.145                -15.417
 RC180  Fr= 1--       0.709                  0.159                 -0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.05     0.02  -0.02   0.03     0.04   0.06   0.04
     2   6    -0.02  -0.03  -0.07    -0.00   0.06   0.05    -0.01  -0.02  -0.01
     3   6    -0.04  -0.01  -0.07     0.00  -0.01   0.07    -0.07  -0.05   0.12
     4   6    -0.01  -0.02  -0.02    -0.04  -0.03  -0.02     0.02  -0.00   0.07
     5   6     0.00  -0.05  -0.00    -0.06   0.06  -0.09     0.06   0.00   0.02
     6   6    -0.02   0.00  -0.00     0.03   0.01  -0.07     0.01   0.04   0.02
     7   6     0.01  -0.05  -0.01    -0.03   0.10  -0.04     0.09   0.01  -0.04
     8   8    -0.01   0.01   0.00    -0.08  -0.14   0.00     0.04   0.05  -0.02
     9  29     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   8    -0.04  -0.05  -0.01     0.02  -0.07  -0.01    -0.11  -0.18  -0.04
    11   6    -0.03  -0.02  -0.02     0.01  -0.02   0.03    -0.09  -0.05   0.05
    12   6     0.01   0.01   0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
    13   9     0.04  -0.01  -0.02    -0.02   0.03   0.02     0.05   0.04  -0.02
    14   6     0.01  -0.05  -0.03     0.02   0.04   0.05    -0.01  -0.00  -0.01
    15   6    -0.02   0.01   0.13     0.02  -0.04   0.05     0.10   0.05  -0.01
    16   6     0.11   0.08   0.07     0.05  -0.02  -0.06    -0.05  -0.01  -0.12
    17   8    -0.01   0.01  -0.00     0.08   0.14   0.00    -0.04  -0.05  -0.02
    18   6    -0.01  -0.02   0.02     0.04   0.03  -0.02    -0.03   0.00   0.07
    19   6     0.00  -0.05   0.00     0.06  -0.06  -0.09    -0.06  -0.00   0.02
    20   6     0.01  -0.05   0.00     0.04  -0.10  -0.04    -0.09  -0.01  -0.04
    21   6    -0.02  -0.03   0.06     0.00  -0.06   0.05     0.01   0.02  -0.01
    22   6    -0.04  -0.01   0.07    -0.00   0.01   0.07     0.07   0.05   0.12
    23   6    -0.02   0.01   0.05    -0.02   0.02   0.03    -0.04  -0.06   0.04
    24   6    -0.02   0.00   0.00    -0.03  -0.01  -0.07    -0.01  -0.04   0.02
    25   6     0.11   0.08  -0.07    -0.05   0.02  -0.06     0.06   0.01  -0.12
    26   6    -0.02   0.01  -0.13    -0.02   0.04   0.05    -0.11  -0.06  -0.01
    27   6     0.01  -0.05   0.03    -0.02  -0.04   0.05     0.01   0.00  -0.01
    28   6    -0.03  -0.02   0.02    -0.01   0.02   0.03     0.10   0.05   0.05
    29   6     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    30   9     0.04  -0.01   0.01     0.02  -0.03   0.02    -0.06  -0.04  -0.02
    31   8    -0.04  -0.05   0.01    -0.02   0.07  -0.01     0.11   0.19  -0.05
    32   9     0.03   0.01  -0.03     0.02   0.00  -0.02    -0.03   0.03   0.04
    33   9    -0.03   0.05  -0.01     0.01  -0.02  -0.02     0.05  -0.05  -0.03
    34   9    -0.03   0.05   0.01    -0.01   0.02  -0.02    -0.05   0.05  -0.03
    35   9     0.03   0.01   0.03    -0.02  -0.00  -0.02     0.02  -0.03   0.04
    36   1    -0.02   0.00  -0.02    -0.08   0.02  -0.02     0.04  -0.08  -0.00
    37   1    -0.03   0.04  -0.01    -0.11  -0.01  -0.15     0.02   0.00   0.04
    38   1    -0.02   0.03   0.04    -0.02   0.04   0.06    -0.06  -0.10   0.21
    39   1    -0.02   0.04   0.07    -0.04   0.06   0.04    -0.20  -0.10  -0.06
    40   1    -0.04  -0.06   0.12    -0.03  -0.10   0.13    -0.01   0.01  -0.05
    41   1     0.08   0.15  -0.24    -0.10   0.13  -0.03     0.07  -0.01  -0.29
    42   1     0.25   0.16   0.05    -0.02   0.10   0.04     0.16   0.03  -0.09
    43   1     0.12   0.10  -0.08    -0.15   0.01  -0.20     0.15   0.04  -0.03
    44   1     0.06   0.14  -0.21    -0.16   0.10   0.08    -0.12  -0.08   0.00
    45   1    -0.02   0.02  -0.14     0.14   0.16   0.10    -0.13  -0.10   0.03
    46   1    -0.15  -0.06  -0.22    -0.10   0.06   0.06    -0.03  -0.07  -0.02
    47   1     0.02  -0.06   0.05    -0.02  -0.19   0.17     0.01   0.07  -0.07
    48   1     0.02  -0.05   0.06    -0.07   0.04   0.09     0.04  -0.05  -0.00
    49   1     0.01  -0.01   0.03    -0.08   0.08   0.07     0.05  -0.02  -0.03
    50   1     0.25   0.16  -0.05     0.02  -0.10   0.04    -0.15  -0.03  -0.08
    51   1     0.08   0.15   0.24     0.10  -0.13  -0.03    -0.06   0.01  -0.29
    52   1     0.12   0.10   0.08     0.15  -0.01  -0.20    -0.14  -0.04  -0.04
    53   1    -0.16  -0.06   0.23     0.10  -0.06   0.06     0.03   0.06  -0.02
    54   1    -0.02   0.02   0.14    -0.14  -0.16   0.10     0.13   0.09   0.03
    55   1     0.06   0.14   0.21     0.16  -0.10   0.08     0.12   0.07   0.00
    56   1    -0.02   0.03  -0.04     0.02  -0.04   0.06     0.06   0.10   0.21
    57   1    -0.02   0.04  -0.07     0.04  -0.06   0.04     0.19   0.10  -0.06
    58   1    -0.03   0.04   0.01     0.11   0.01  -0.15    -0.02  -0.00   0.04
    59   1    -0.02   0.00   0.02     0.08  -0.02  -0.02    -0.03   0.08  -0.00
    60   1    -0.04  -0.06  -0.12     0.03   0.10   0.13     0.01  -0.01  -0.05
    61   1     0.02  -0.05  -0.06     0.07  -0.04   0.10    -0.04   0.05  -0.00
    62   1     0.02  -0.06  -0.05     0.02   0.19   0.17    -0.01  -0.06  -0.06
    63   1     0.01  -0.01  -0.03     0.08  -0.08   0.07    -0.05   0.02  -0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --    446.9716               455.5004               490.5665
 Red. masses --      3.7092                 5.3193                 6.3987
 Frc consts  --      0.4366                 0.6503                 0.9073
 IR Inten    --     25.5678                 5.1787                 0.0007
 RamAct Fr= 1--      1.2218                 0.9388                50.7898
  Dep-P Fr= 1--      0.7407                 0.7499                 0.2084
  Dep-U Fr= 1--      0.8510                 0.8571                 0.3449
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.6745
 Beta2  Fr= 1--      0.1733                 0.1341                 2.9198
 AlphaG Fr= 1--      0.0008                 0.0000                 3.2711
 Gamma2 Fr= 1--    -10.0538                61.7623                -1.2277
 Delta2 Fr= 1--     -2.0143                -2.2602                -4.0246
 Raman1 Fr= 1--       4.887                  3.755                203.159
 ROA1   Fr= 1--   -1029.623               5856.851               -246.649
 CID1   Fr= 1--    -210.676               1559.616                 -1.214
 Raman2 Fr= 1--       2.080                  1.609                 35.038
 ROA2   Fr= 1--    -225.177               1500.375                  2.731
 CID2   Fr= 1--    -108.278                932.309                  0.078
 Raman3 Fr= 1--       4.159                  3.219                 70.075
 ROA3   Fr= 1--   -1029.623               5856.851               -246.649
 CID3   Fr= 1--    -247.550               1819.676                 -3.520
 RC180  Fr= 1--       0.702                  0.714                 -0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.05  -0.07  -0.04    -0.04  -0.09   0.01
     2   6    -0.00  -0.04  -0.03     0.01  -0.03  -0.02     0.02   0.01   0.03
     3   6    -0.05  -0.01   0.04     0.03   0.08  -0.17    -0.00   0.05  -0.18
     4   6     0.03   0.03   0.06     0.03   0.07  -0.03     0.03   0.03  -0.03
     5   6     0.08  -0.03   0.07     0.05  -0.01   0.08     0.04   0.05   0.08
     6   6    -0.01   0.01   0.05    -0.03  -0.07   0.03    -0.02  -0.06   0.02
     7   6     0.10  -0.05  -0.01     0.01  -0.06   0.07     0.06   0.05   0.05
     8   8     0.06   0.12  -0.01     0.04   0.11   0.01     0.01  -0.04  -0.00
     9  29    -0.04  -0.03   0.00    -0.03  -0.07   0.00     0.00   0.00   0.00
    10   8    -0.07  -0.10  -0.02     0.07   0.10   0.04     0.02  -0.21   0.02
    11   6    -0.06  -0.02   0.01     0.06   0.07  -0.08     0.02  -0.01  -0.13
    12   6    -0.00   0.00   0.00     0.01   0.01  -0.01     0.03   0.02  -0.04
    13   9     0.03   0.01  -0.02    -0.06  -0.07   0.01    -0.10  -0.06  -0.00
    14   6    -0.02  -0.02  -0.03    -0.03   0.00  -0.00    -0.03   0.09   0.05
    15   6     0.09   0.07  -0.02    -0.02   0.02  -0.02     0.11   0.06   0.00
    16   6    -0.07   0.00  -0.06    -0.02   0.01   0.11    -0.03  -0.01   0.01
    17   8     0.05   0.12   0.01     0.04   0.11  -0.01    -0.01   0.04  -0.00
    18   6     0.03   0.03  -0.06     0.03   0.07   0.03    -0.03  -0.03  -0.03
    19   6     0.08  -0.03  -0.06     0.05  -0.01  -0.08    -0.04  -0.05   0.08
    20   6     0.10  -0.05   0.01     0.01  -0.06  -0.07    -0.06  -0.05   0.05
    21   6    -0.00  -0.04   0.03     0.01  -0.03   0.02    -0.02  -0.01   0.03
    22   6    -0.05  -0.01  -0.04     0.03   0.08   0.17     0.00  -0.05  -0.18
    23   6     0.02   0.04  -0.01    -0.05  -0.07   0.04     0.04   0.09   0.01
    24   6    -0.01   0.01  -0.05    -0.03  -0.07  -0.03     0.02   0.06   0.02
    25   6    -0.07   0.00   0.06    -0.02   0.01  -0.11     0.03   0.01   0.01
    26   6     0.09   0.07   0.02    -0.03   0.02   0.02    -0.11  -0.06   0.00
    27   6    -0.02  -0.02   0.03    -0.03   0.00   0.00     0.03  -0.09   0.05
    28   6    -0.06  -0.02  -0.01     0.06   0.07   0.08    -0.02   0.01  -0.13
    29   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.03  -0.02  -0.04
    30   9     0.03   0.01   0.02    -0.06  -0.07  -0.01     0.10   0.06  -0.00
    31   8    -0.07  -0.09   0.02     0.07   0.10  -0.04    -0.02   0.21   0.02
    32   9     0.02  -0.02  -0.02    -0.01   0.03   0.04    -0.03  -0.07  -0.06
    33   9    -0.02   0.02   0.01     0.05  -0.05  -0.06     0.01  -0.02   0.12
    34   9    -0.02   0.02  -0.01     0.05  -0.05   0.06    -0.01   0.02   0.12
    35   9     0.02  -0.02   0.02    -0.01   0.03  -0.04     0.03   0.07  -0.06
    36   1    -0.06   0.05   0.00    -0.04  -0.07   0.08    -0.00   0.09  -0.09
    37   1    -0.07  -0.02  -0.11    -0.11  -0.07  -0.11     0.07   0.09   0.07
    38   1     0.03   0.07  -0.10    -0.07  -0.08   0.21     0.06   0.11  -0.15
    39   1     0.10   0.08   0.06    -0.19  -0.08  -0.03     0.18   0.12   0.09
    40   1    -0.02  -0.07   0.10    -0.07  -0.08   0.04     0.04   0.01   0.08
    41   1    -0.11   0.08   0.23    -0.05   0.08  -0.11     0.04  -0.00  -0.14
    42   1    -0.14   0.03   0.09     0.01   0.06  -0.04     0.10   0.05   0.08
    43   1    -0.21  -0.03  -0.09    -0.08   0.00  -0.19     0.10   0.06   0.04
    44   1     0.02   0.12   0.03    -0.17   0.05   0.07    -0.05  -0.04  -0.03
    45   1     0.19   0.16   0.03     0.10   0.10   0.09    -0.14  -0.06  -0.03
    46   1    -0.02   0.08   0.04    -0.04   0.04   0.04    -0.15  -0.07  -0.01
    47   1    -0.03  -0.17   0.14    -0.05  -0.12   0.08     0.03  -0.03   0.00
    48   1    -0.09   0.07   0.03    -0.09   0.09   0.00     0.07  -0.15   0.06
    49   1    -0.10   0.04   0.06    -0.09   0.04   0.02     0.07  -0.10   0.03
    50   1    -0.15   0.02  -0.09     0.01   0.06   0.04    -0.10  -0.05   0.08
    51   1    -0.11   0.08  -0.23    -0.05   0.08   0.11    -0.04   0.00  -0.14
    52   1    -0.21  -0.04   0.09    -0.08   0.00   0.19    -0.10  -0.06   0.04
    53   1    -0.01   0.08  -0.04    -0.04   0.04  -0.04     0.15   0.07  -0.01
    54   1     0.20   0.17  -0.03     0.10   0.10  -0.09     0.14   0.06  -0.03
    55   1     0.02   0.12  -0.03    -0.17   0.05  -0.07     0.05   0.04  -0.03
    56   1     0.03   0.07   0.10    -0.07  -0.08  -0.21    -0.06  -0.11  -0.15
    57   1     0.10   0.08  -0.06    -0.19  -0.07   0.03    -0.18  -0.12   0.09
    58   1    -0.07  -0.02   0.11    -0.11  -0.07   0.11    -0.07  -0.09   0.07
    59   1    -0.06   0.05  -0.00    -0.04  -0.07  -0.08     0.00  -0.09  -0.09
    60   1    -0.02  -0.07  -0.10    -0.07  -0.08  -0.04    -0.04  -0.01   0.08
    61   1    -0.09   0.07  -0.03    -0.09   0.09  -0.00    -0.07   0.15   0.06
    62   1    -0.03  -0.17  -0.14    -0.05  -0.12  -0.08    -0.03   0.03   0.00
    63   1    -0.10   0.04  -0.06    -0.09   0.04  -0.02    -0.07   0.10   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --    501.3433               502.8407               518.0185
 Red. masses --      7.0615                10.7200                15.8081
 Frc consts  --      1.0457                 1.5970                 2.4993
 IR Inten    --      7.2304                 0.0293                 8.9198
 RamAct Fr= 1--      0.9250                28.3175                 0.5403
  Dep-P Fr= 1--      0.7500                 0.3816                 0.6963
  Dep-U Fr= 1--      0.8571                 0.5524                 0.8210
 Alpha2 Fr= 1--      0.0000                 0.2237                 0.0005
 Beta2  Fr= 1--      0.1321                 2.6073                 0.0739
 AlphaG Fr= 1--      0.0000                 2.8487                 0.0036
 Gamma2 Fr= 1--    -27.7279               104.0139               -27.2866
 Delta2 Fr= 1--     -1.3289                 3.9167                 0.2798
 Raman1 Fr= 1--       3.700                113.270                  2.161
 ROA1   Fr= 1--   -2704.407              10110.673              -2610.558
 CID1   Fr= 1--    -730.886                 89.262              -1207.989
 Raman2 Fr= 1--       1.586                 31.288                  0.887
 ROA2   Fr= 1--    -654.839               2465.001               -657.117
 CID2   Fr= 1--    -412.942                 78.785               -740.746
 Raman3 Fr= 1--       3.172                 62.575                  1.774
 ROA3   Fr= 1--   -2704.407              10110.673              -2610.558
 CID3   Fr= 1--    -852.700                161.577              -1471.399
 RC180  Fr= 1--       0.714                  0.105                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.04     0.04   0.04  -0.03    -0.01   0.01  -0.01
     2   6    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.15    -0.00   0.05   0.10     0.01  -0.02  -0.02
     4   6    -0.02   0.02   0.03    -0.07   0.02   0.04     0.06   0.03  -0.03
     5   6     0.00  -0.06  -0.05    -0.00  -0.08  -0.00     0.04   0.04  -0.01
     6   6     0.01   0.04  -0.02     0.01   0.00   0.02     0.00   0.02  -0.04
     7   6    -0.04  -0.10  -0.02     0.02  -0.09  -0.02    -0.02  -0.02   0.03
     8   8    -0.00   0.12   0.01    -0.06   0.12   0.00     0.06  -0.00   0.01
     9  29    -0.02  -0.04  -0.00    -0.00  -0.00   0.00     0.05  -0.12   0.00
    10   8     0.07   0.09  -0.05     0.17  -0.16  -0.05    -0.13   0.33   0.03
    11   6     0.06   0.01   0.15     0.15  -0.03   0.09    -0.12   0.06   0.05
    12   6     0.03   0.01   0.07     0.11   0.03   0.05    -0.16  -0.05   0.03
    13   9     0.02   0.02   0.12    -0.12  -0.03   0.21     0.23   0.09  -0.17
    14   6     0.02  -0.11  -0.05     0.01  -0.11  -0.05    -0.01   0.04   0.02
    15   6    -0.12  -0.05  -0.02    -0.03  -0.01  -0.01    -0.04  -0.01  -0.01
    16   6     0.01   0.01   0.04    -0.01   0.01  -0.01    -0.00  -0.01   0.06
    17   8    -0.00   0.12  -0.01     0.06  -0.12   0.00     0.05  -0.00  -0.01
    18   6    -0.02   0.02  -0.03     0.07  -0.02   0.04     0.05   0.03   0.02
    19   6     0.00  -0.07   0.05     0.00   0.08  -0.00     0.04   0.04   0.01
    20   6    -0.04  -0.10   0.02    -0.02   0.08  -0.02    -0.02  -0.02  -0.02
    21   6    -0.01  -0.02   0.06     0.01   0.02  -0.05     0.00  -0.02   0.01
    22   6     0.01   0.01  -0.15     0.00  -0.05   0.09     0.01  -0.02   0.01
    23   6     0.04   0.08   0.04    -0.04  -0.04  -0.03    -0.00   0.01   0.01
    24   6     0.01   0.04   0.02    -0.01  -0.00   0.02     0.00   0.02   0.03
    25   6     0.01   0.01  -0.04     0.01  -0.01  -0.01     0.00  -0.01  -0.05
    26   6    -0.12  -0.05   0.02     0.02   0.01  -0.01    -0.04  -0.01   0.01
    27   6     0.02  -0.11   0.05    -0.01   0.11  -0.05    -0.01   0.04  -0.01
    28   6     0.06   0.01  -0.15    -0.15   0.03   0.08    -0.12   0.07  -0.05
    29   6     0.03   0.01  -0.07    -0.11  -0.03   0.05    -0.16  -0.05  -0.02
    30   9     0.02   0.02  -0.12     0.12   0.03   0.20     0.22   0.09   0.17
    31   8     0.07   0.09   0.05    -0.17   0.16  -0.05    -0.13   0.34  -0.03
    32   9    -0.12  -0.07   0.06     0.14   0.01  -0.20     0.03  -0.06  -0.28
    33   9     0.08   0.04   0.12    -0.12  -0.11  -0.03    -0.10  -0.16   0.15
    34   9     0.08   0.04  -0.12     0.12   0.11  -0.03    -0.10  -0.15  -0.15
    35   9    -0.12  -0.07  -0.06    -0.14  -0.01  -0.21     0.02  -0.07   0.28
    36   1    -0.02   0.09  -0.04     0.01  -0.03   0.12    -0.02   0.03   0.12
    37   1     0.02   0.05   0.02    -0.03  -0.04   0.02    -0.05  -0.04  -0.00
    38   1     0.06   0.10  -0.09    -0.04  -0.06   0.04    -0.00   0.00   0.00
    39   1     0.15   0.11   0.11    -0.10  -0.08  -0.09     0.00   0.00   0.01
    40   1    -0.00  -0.04   0.14     0.05   0.06  -0.12     0.02  -0.01   0.02
    41   1     0.00   0.03  -0.19     0.03  -0.07   0.02     0.00  -0.01  -0.09
    42   1     0.09   0.09   0.08    -0.02  -0.08  -0.11     0.02   0.00  -0.03
    43   1     0.04   0.06  -0.07     0.05  -0.03   0.09     0.02   0.00  -0.03
    44   1    -0.13  -0.02   0.01     0.03  -0.04   0.01    -0.08  -0.02   0.03
    45   1    -0.07  -0.00   0.01    -0.03  -0.04  -0.00    -0.00   0.01   0.02
    46   1    -0.19  -0.05   0.02     0.10   0.02   0.01    -0.04   0.00   0.03
    47   1     0.01  -0.13   0.05    -0.01   0.15  -0.09    -0.03   0.01  -0.02
    48   1     0.01  -0.10   0.06    -0.00   0.10  -0.08    -0.04   0.07  -0.04
    49   1     0.02  -0.12   0.05     0.01   0.07  -0.05    -0.02  -0.00  -0.01
    50   1     0.09   0.09  -0.08     0.02   0.09  -0.11     0.02  -0.00   0.05
    51   1     0.00   0.03   0.19    -0.03   0.07   0.02     0.00  -0.02   0.11
    52   1     0.04   0.06   0.07    -0.05   0.03   0.09     0.03   0.00   0.04
    53   1    -0.19  -0.05  -0.02    -0.11  -0.02   0.01    -0.04   0.01  -0.03
    54   1    -0.07  -0.00  -0.01     0.03   0.04  -0.00    -0.01   0.01  -0.02
    55   1    -0.13  -0.02  -0.01    -0.04   0.04   0.01    -0.09  -0.02  -0.03
    56   1     0.05   0.10   0.09     0.04   0.06   0.04    -0.01   0.00  -0.01
    57   1     0.15   0.11  -0.11     0.10   0.08  -0.09    -0.00   0.00  -0.01
    58   1     0.02   0.05  -0.02     0.03   0.04   0.02    -0.06  -0.04  -0.00
    59   1    -0.02   0.09   0.04    -0.01   0.03   0.12    -0.02   0.03  -0.14
    60   1    -0.00  -0.03  -0.14    -0.05  -0.06  -0.12     0.02  -0.00  -0.02
    61   1     0.01  -0.10  -0.06     0.00  -0.10  -0.08    -0.04   0.08   0.04
    62   1     0.01  -0.13  -0.05     0.01  -0.16  -0.09    -0.03   0.02   0.02
    63   1     0.02  -0.12  -0.05    -0.01  -0.07  -0.06    -0.02  -0.01   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --    518.5098               524.1124               533.2607
 Red. masses --      5.2589                 6.0417                 7.3607
 Frc consts  --      0.8330                 0.9778                 1.2332
 IR Inten    --      1.0439                17.4483                 3.5004
 RamAct Fr= 1--     70.1534                 0.3745                22.8751
  Dep-P Fr= 1--      0.1759                 0.7496                 0.2290
  Dep-U Fr= 1--      0.2991                 0.8569                 0.3727
 Alpha2 Fr= 1--      1.0149                 0.0000                 0.2873
 Beta2  Fr= 1--      3.4973                 0.0535                 1.4208
 AlphaG Fr= 1--      7.1556                -0.0000                 0.1721
 Gamma2 Fr= 1--     -7.0764               -17.8664                 6.1731
 Delta2 Fr= 1--      0.7574                 0.8104                -1.8405
 Raman1 Fr= 1--     280.614                  1.498                 91.500
 ROA1   Fr= 1--    -655.097              -1689.245                533.716
 CID1   Fr= 1--      -2.335              -1127.657                  5.833
 Raman2 Fr= 1--      41.967                  0.642                 17.049
 ROA2   Fr= 1--    -175.892               -435.277                162.877
 CID2   Fr= 1--      -4.191               -678.221                  9.553
 Raman3 Fr= 1--      83.934                  1.284                 34.098
 ROA3   Fr= 1--    -655.097              -1689.245                533.716
 CID3   Fr= 1--      -7.805              -1316.037                 15.652
 RC180  Fr= 1--      -0.402                  0.714                 -0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.03     0.03   0.01   0.02     0.02   0.08  -0.03
     2   6     0.03   0.02   0.02    -0.03  -0.03  -0.03     0.02   0.03   0.01
     3   6     0.03  -0.02  -0.06    -0.02   0.02   0.12     0.02  -0.06   0.18
     4   6     0.11   0.02  -0.08    -0.10  -0.01   0.10     0.07  -0.01   0.04
     5   6     0.07   0.07  -0.03    -0.06  -0.07   0.01     0.03   0.01  -0.10
     6   6    -0.00   0.03  -0.09     0.01  -0.01   0.07     0.03   0.08  -0.10
     7   6    -0.05   0.01   0.08     0.02  -0.03  -0.09    -0.08  -0.00   0.02
     8   8     0.12   0.00   0.03    -0.10   0.03  -0.03     0.10   0.08   0.02
     9  29    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.00  -0.00  -0.01
    10   8    -0.03  -0.11  -0.04     0.03   0.17   0.04     0.00  -0.08   0.01
    11   6    -0.02  -0.03   0.05     0.02   0.05  -0.03     0.01  -0.03  -0.03
    12   6    -0.00  -0.01   0.06     0.00   0.01  -0.07     0.01   0.01  -0.10
    13   9     0.07   0.03   0.07    -0.08  -0.03  -0.08    -0.12  -0.01  -0.08
    14   6    -0.01   0.05   0.02     0.01  -0.07  -0.03     0.02  -0.06  -0.03
    15   6    -0.07  -0.03  -0.03     0.01   0.00   0.02    -0.14  -0.06  -0.03
    16   6    -0.02  -0.03   0.15     0.02   0.03  -0.14    -0.01  -0.02   0.08
    17   8    -0.12  -0.00   0.03    -0.10   0.03   0.03    -0.10  -0.08   0.02
    18   6    -0.11  -0.02  -0.08    -0.09  -0.01  -0.10    -0.07   0.01   0.04
    19   6    -0.07  -0.07  -0.03    -0.06  -0.07  -0.01    -0.03  -0.01  -0.10
    20   6     0.05  -0.01   0.08     0.02  -0.03   0.09     0.08   0.00   0.02
    21   6    -0.03  -0.02   0.02    -0.03  -0.03   0.03    -0.02  -0.03   0.01
    22   6    -0.03   0.02  -0.06    -0.02   0.02  -0.12    -0.02   0.06   0.18
    23   6     0.02  -0.01  -0.03     0.03   0.01  -0.02    -0.02  -0.08  -0.03
    24   6     0.00  -0.03  -0.09     0.01  -0.01  -0.07    -0.03  -0.08  -0.10
    25   6     0.02   0.03   0.15     0.02   0.03   0.14     0.01   0.02   0.08
    26   6     0.07   0.03  -0.03     0.01   0.00  -0.02     0.14   0.06  -0.03
    27   6     0.01  -0.05   0.02     0.01  -0.07   0.03    -0.02   0.06  -0.03
    28   6     0.02   0.03   0.05     0.02   0.05   0.03    -0.01   0.03  -0.03
    29   6     0.01   0.01   0.06     0.00   0.01   0.07    -0.01  -0.01  -0.10
    30   9    -0.07  -0.03   0.06    -0.08  -0.03   0.08     0.12   0.01  -0.08
    31   8     0.04   0.10  -0.04     0.03   0.17  -0.04    -0.00   0.08   0.01
    32   9     0.09   0.04   0.02     0.10   0.03   0.01    -0.14  -0.07  -0.04
    33   9    -0.01  -0.03  -0.12    -0.00  -0.05  -0.12     0.04   0.02   0.16
    34   9     0.01   0.03  -0.11    -0.00  -0.05   0.12    -0.04  -0.02   0.16
    35   9    -0.09  -0.04   0.01     0.10   0.03  -0.01     0.14   0.07  -0.04
    36   1     0.04  -0.05  -0.28     0.04  -0.02  -0.27     0.01  -0.11  -0.13
    37   1     0.11   0.08  -0.01     0.11   0.09   0.01     0.00  -0.03  -0.08
    38   1     0.03   0.01  -0.14     0.05   0.04  -0.16    -0.02  -0.06   0.00
    39   1     0.10   0.04   0.04     0.14   0.06   0.07    -0.05  -0.05  -0.02
    40   1    -0.07  -0.05   0.01    -0.06  -0.05   0.04    -0.12  -0.09  -0.01
    41   1    -0.00   0.08   0.21     0.01   0.07   0.12    -0.03   0.09   0.22
    42   1    -0.01   0.05   0.18     0.03   0.07   0.19    -0.05   0.03   0.09
    43   1    -0.05   0.02   0.08    -0.01   0.04   0.07    -0.10  -0.02  -0.02
    44   1     0.20   0.09  -0.10     0.13   0.07  -0.10     0.18   0.10  -0.06
    45   1     0.02   0.01  -0.08    -0.03  -0.01  -0.07     0.14   0.07  -0.05
    46   1    -0.03  -0.02  -0.09    -0.10  -0.05  -0.08     0.07   0.04  -0.06
    47   1     0.04  -0.05   0.06     0.03  -0.06   0.05     0.01   0.02   0.04
    48   1     0.05  -0.11   0.08     0.04  -0.12   0.08    -0.01   0.05   0.02
    49   1     0.01   0.04   0.02     0.01   0.00   0.03    -0.04   0.16  -0.02
    50   1     0.01  -0.05   0.18     0.03   0.07  -0.19     0.05  -0.03   0.09
    51   1     0.00  -0.08   0.21     0.01   0.07  -0.12     0.03  -0.09   0.23
    52   1     0.05  -0.02   0.08    -0.01   0.04  -0.07     0.10   0.02  -0.02
    53   1     0.03   0.02  -0.09    -0.10  -0.05   0.08    -0.07  -0.04  -0.06
    54   1    -0.02  -0.01  -0.08    -0.03  -0.01   0.07    -0.14  -0.07  -0.05
    55   1    -0.20  -0.09  -0.10     0.13   0.07   0.10    -0.18  -0.10  -0.06
    56   1    -0.03  -0.01  -0.14     0.05   0.04   0.16     0.02   0.06   0.00
    57   1    -0.10  -0.04   0.04     0.14   0.06  -0.07     0.05   0.06  -0.02
    58   1    -0.11  -0.08  -0.01     0.11   0.09  -0.01    -0.00   0.03  -0.09
    59   1    -0.04   0.05  -0.28     0.04  -0.02   0.27    -0.01   0.11  -0.14
    60   1     0.07   0.05   0.01    -0.06  -0.05  -0.04     0.12   0.09  -0.01
    61   1    -0.04   0.11   0.07     0.04  -0.12  -0.08     0.01  -0.05   0.02
    62   1    -0.04   0.05   0.06     0.03  -0.06  -0.05    -0.01  -0.02   0.04
    63   1    -0.01  -0.04   0.02     0.01   0.00  -0.03     0.04  -0.16  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --    535.2729               567.1751               570.8230
 Red. masses --      6.3113                 4.3770                 4.0841
 Frc consts  --      1.0654                 0.8296                 0.7841
 IR Inten    --     26.3122                 0.5573                27.6033
 RamAct Fr= 1--      0.0629                 7.4720                 0.5762
  Dep-P Fr= 1--      0.7406                 0.4669                 0.7500
  Dep-U Fr= 1--      0.8510                 0.6366                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0427                 0.0000
 Beta2  Fr= 1--      0.0089                 0.7928                 0.0823
 AlphaG Fr= 1--      0.0000                 0.3076                -0.0000
 Gamma2 Fr= 1--      0.1845                 2.9886               -12.4027
 Delta2 Fr= 1--     -0.1713                 0.4268                -0.8241
 Raman1 Fr= 1--       0.251                 29.888                  2.305
 ROA1   Fr= 1--      12.235                300.558              -1217.030
 CID1   Fr= 1--      48.658                 10.056               -528.050
 Raman2 Fr= 1--       0.107                  9.513                  0.988
 ROA2   Fr= 1--       5.799                 68.312               -291.072
 CID2   Fr= 1--      54.201                  7.181               -294.681
 Raman3 Fr= 1--       0.214                 19.027                  1.976
 ROA3   Fr= 1--      12.235                300.558              -1217.030
 CID3   Fr= 1--      57.177                 15.797               -616.059
 RC180  Fr= 1--       0.702                  0.273                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.03     0.02  -0.04  -0.01     0.02  -0.04  -0.02
     2   6    -0.02  -0.03  -0.01    -0.05  -0.09  -0.07    -0.04  -0.09  -0.07
     3   6    -0.02   0.05  -0.15    -0.01   0.00   0.05    -0.01  -0.00   0.05
     4   6    -0.08  -0.00  -0.02     0.07   0.03   0.06     0.07   0.02   0.06
     5   6    -0.06  -0.02   0.09     0.04   0.08   0.05     0.05   0.09   0.05
     6   6    -0.03  -0.08   0.12     0.02  -0.01   0.00     0.02  -0.01  -0.01
     7   6     0.08   0.01  -0.04    -0.02  -0.08  -0.06    -0.02  -0.08  -0.06
     8   8    -0.11  -0.08  -0.02     0.05  -0.11  -0.03     0.06  -0.10  -0.03
     9  29     0.04   0.01  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    10   8     0.01   0.07  -0.01    -0.05   0.04  -0.00    -0.04   0.01  -0.00
    11   6     0.01   0.02   0.01    -0.04   0.05   0.02    -0.03   0.03   0.02
    12   6     0.01  -0.00   0.08     0.03   0.04   0.00     0.02   0.03  -0.00
    13   9     0.07  -0.01   0.09    -0.03  -0.05   0.02    -0.02  -0.03   0.01
    14   6    -0.01   0.04   0.02    -0.04   0.16   0.06    -0.04   0.17   0.07
    15   6     0.13   0.05   0.03    -0.10  -0.03  -0.00    -0.10  -0.04  -0.00
    16   6     0.01   0.03  -0.12     0.02   0.02  -0.06     0.02   0.02  -0.05
    17   8    -0.11  -0.08   0.02    -0.05   0.11  -0.03     0.06  -0.10   0.03
    18   6    -0.08  -0.00   0.02    -0.07  -0.03   0.06     0.07   0.02  -0.06
    19   6    -0.06  -0.02  -0.09    -0.04  -0.08   0.05     0.05   0.09  -0.05
    20   6     0.08   0.01   0.04     0.01   0.08  -0.06    -0.02  -0.08   0.06
    21   6    -0.02  -0.03   0.01     0.05   0.09  -0.07    -0.04  -0.09   0.07
    22   6    -0.02   0.05   0.15     0.01  -0.00   0.05    -0.01  -0.00  -0.05
    23   6    -0.01  -0.08  -0.03    -0.02   0.04  -0.01     0.02  -0.04   0.02
    24   6    -0.03  -0.08  -0.12    -0.02   0.01   0.00     0.02  -0.01   0.01
    25   6     0.01   0.03   0.12    -0.02  -0.02  -0.06     0.02   0.02   0.05
    26   6     0.13   0.05  -0.03     0.10   0.03   0.00    -0.10  -0.04   0.00
    27   6    -0.02   0.05  -0.02     0.04  -0.16   0.06    -0.04   0.17  -0.07
    28   6     0.01   0.02  -0.01     0.04  -0.05   0.02    -0.03   0.03  -0.02
    29   6     0.01  -0.00  -0.08    -0.03  -0.04   0.00     0.02   0.03   0.00
    30   9     0.07  -0.01  -0.09     0.03   0.05   0.02    -0.02  -0.03  -0.01
    31   8     0.01   0.07   0.01     0.05  -0.04  -0.00    -0.04   0.01   0.00
    32   9    -0.11  -0.05   0.00    -0.00   0.03  -0.05     0.01  -0.02   0.03
    33   9     0.06   0.03   0.12    -0.07  -0.03   0.03     0.05   0.02  -0.02
    34   9     0.06   0.03  -0.11     0.07   0.03   0.03     0.04   0.02   0.02
    35   9    -0.11  -0.05  -0.00     0.00  -0.03  -0.05     0.01  -0.02  -0.03
    36   1     0.02  -0.11  -0.20    -0.02   0.02  -0.10     0.02  -0.02   0.12
    37   1     0.04  -0.00  -0.07     0.02   0.06   0.03    -0.02  -0.07  -0.02
    38   1    -0.01  -0.05  -0.03    -0.04   0.03   0.14     0.04  -0.03  -0.12
    39   1    -0.02  -0.05  -0.01    -0.13  -0.03  -0.10     0.12   0.02   0.10
    40   1    -0.12  -0.09  -0.02     0.07   0.10  -0.08    -0.05  -0.09   0.08
    41   1    -0.02   0.09   0.24    -0.01  -0.07   0.05     0.01   0.06  -0.06
    42   1    -0.04   0.04   0.12    -0.09  -0.11  -0.17     0.09   0.10   0.17
    43   1    -0.09  -0.00   0.02    -0.03  -0.06   0.01     0.03   0.06  -0.01
    44   1     0.21   0.11  -0.08     0.07  -0.05   0.04    -0.09   0.05  -0.04
    45   1     0.10   0.05  -0.07     0.04  -0.04   0.04    -0.04   0.04  -0.03
    46   1     0.05   0.02  -0.08     0.26   0.05   0.02    -0.26  -0.05  -0.02
    47   1     0.02   0.02   0.04     0.06  -0.07   0.01    -0.06   0.08  -0.01
    48   1     0.01   0.01   0.04     0.11  -0.25   0.09    -0.11   0.27  -0.10
    49   1    -0.03   0.17  -0.02     0.10  -0.16   0.04    -0.10   0.17  -0.05
    50   1    -0.03   0.04  -0.12     0.09   0.11  -0.17     0.09   0.10  -0.17
    51   1    -0.02   0.09  -0.24     0.01   0.07   0.05     0.01   0.06   0.06
    52   1    -0.09  -0.00  -0.02     0.03   0.06   0.01     0.03   0.06   0.01
    53   1     0.05   0.02   0.08    -0.26  -0.05   0.02    -0.26  -0.05   0.02
    54   1     0.10   0.05   0.06    -0.04   0.04   0.04    -0.04   0.04   0.03
    55   1     0.21   0.11   0.08    -0.07   0.05   0.04    -0.09   0.05   0.04
    56   1    -0.01  -0.05   0.03     0.04  -0.03   0.14     0.04  -0.03   0.12
    57   1    -0.02  -0.04   0.01     0.13   0.03  -0.10     0.12   0.02  -0.10
    58   1     0.04  -0.00   0.07    -0.02  -0.06   0.03    -0.02  -0.07   0.02
    59   1     0.02  -0.11   0.20     0.02  -0.02  -0.10     0.02  -0.02  -0.12
    60   1    -0.12  -0.09   0.02    -0.07  -0.10  -0.08    -0.05  -0.09  -0.08
    61   1     0.01   0.01  -0.04    -0.11   0.25   0.09    -0.11   0.27   0.10
    62   1     0.02   0.02  -0.04    -0.06   0.07   0.01    -0.06   0.08   0.01
    63   1    -0.03   0.16   0.02    -0.10   0.16   0.04    -0.10   0.17   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --    593.2573               594.4108               607.2054
 Red. masses --      5.2095                 5.4666                 6.0423
 Frc consts  --      1.0803                 1.1380                 1.3126
 IR Inten    --      0.0017                40.7914                 0.3030
 RamAct Fr= 1--     61.4054                 0.4981                19.6194
  Dep-P Fr= 1--      0.4402                 0.7498                 0.0185
  Dep-U Fr= 1--      0.6113                 0.8570                 0.0363
 Alpha2 Fr= 1--      0.3913                 0.0000                 0.4175
 Beta2  Fr= 1--      6.2564                 0.0711                 0.1187
 AlphaG Fr= 1--      1.2189                 0.0000                 2.1318
 Gamma2 Fr= 1--     20.9372                -3.3116                18.6643
 Delta2 Fr= 1--      2.8717                -2.6075                 1.5345
 Raman1 Fr= 1--     245.622                  1.993                 78.477
 ROA1   Fr= 1--    2101.864               -401.356               1840.878
 CID1   Fr= 1--       8.557               -201.431                 23.457
 Raman2 Fr= 1--      75.077                  0.854                  1.424
 ROA2   Fr= 1--     479.519                -58.620                435.668
 CID2   Fr= 1--       6.387                -68.658                305.878
 Raman3 Fr= 1--     150.154                  1.708                  2.849
 ROA3   Fr= 1--    2101.864               -401.356               1840.878
 CID3   Fr= 1--      13.998               -235.042                646.231
 RC180  Fr= 1--       0.223                  0.714                 -0.927
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.03     0.00  -0.05   0.03    -0.09   0.03   0.14
     2   6    -0.05   0.02  -0.01     0.05  -0.01   0.02    -0.02   0.00   0.11
     3   6    -0.07   0.05   0.05     0.06  -0.05  -0.05    -0.01  -0.06  -0.08
     4   6    -0.04   0.03  -0.03     0.03  -0.02   0.03     0.07  -0.04  -0.10
     5   6     0.05  -0.00  -0.06    -0.05  -0.01   0.06    -0.02  -0.03  -0.04
     6   6     0.03   0.05  -0.10    -0.03  -0.05   0.10    -0.07   0.05   0.07
     7   6     0.07  -0.03   0.09    -0.07   0.04  -0.09    -0.04   0.08  -0.03
     8   8    -0.09  -0.12  -0.01     0.09   0.14   0.01     0.13   0.01   0.03
     9  29    -0.00  -0.00  -0.00    -0.04  -0.01   0.00     0.00  -0.00  -0.00
    10   8    -0.09   0.06   0.00     0.10  -0.06  -0.00    -0.11   0.06   0.02
    11   6    -0.08   0.07   0.03     0.09  -0.06  -0.03    -0.08   0.01  -0.03
    12   6     0.02   0.05  -0.00    -0.02  -0.05   0.00     0.05   0.05   0.01
    13   9    -0.03  -0.05  -0.01     0.03   0.06   0.01    -0.02  -0.06   0.05
    14   6     0.02  -0.08  -0.04    -0.02   0.06   0.03     0.03  -0.09  -0.05
    15   6     0.12   0.05  -0.00    -0.12  -0.05   0.00    -0.01   0.00   0.01
    16   6    -0.05  -0.05   0.15     0.05   0.05  -0.15     0.04   0.02  -0.10
    17   8     0.09   0.12  -0.01     0.09   0.14  -0.01    -0.13  -0.01   0.03
    18   6     0.04  -0.03  -0.03     0.03  -0.02  -0.02    -0.07   0.04  -0.10
    19   6    -0.05   0.00  -0.06    -0.05  -0.01  -0.06     0.02   0.03  -0.04
    20   6    -0.07   0.03   0.09    -0.07   0.04   0.09     0.04  -0.08  -0.03
    21   6     0.05  -0.02  -0.01     0.05  -0.01  -0.02     0.02  -0.00   0.11
    22   6     0.07  -0.05   0.05     0.06  -0.05   0.05     0.01   0.06  -0.08
    23   6     0.01  -0.05  -0.03     0.00  -0.05  -0.03     0.09  -0.03   0.14
    24   6    -0.03  -0.05  -0.10    -0.03  -0.05  -0.10     0.07  -0.05   0.07
    25   6     0.05   0.05   0.15     0.05   0.05   0.15    -0.04  -0.02  -0.10
    26   6    -0.12  -0.05  -0.00    -0.12  -0.05  -0.00     0.01  -0.00   0.01
    27   6    -0.02   0.08  -0.04    -0.02   0.06  -0.03    -0.03   0.09  -0.05
    28   6     0.08  -0.07   0.03     0.09  -0.06   0.03     0.08  -0.01  -0.03
    29   6    -0.02  -0.05  -0.00    -0.02  -0.05  -0.00    -0.05  -0.05   0.01
    30   9     0.03   0.05  -0.01     0.03   0.06  -0.01     0.02   0.06   0.05
    31   8     0.09  -0.07   0.00     0.10  -0.06   0.00     0.11  -0.06   0.02
    32   9    -0.02   0.05  -0.04    -0.02   0.05  -0.04    -0.00   0.04  -0.08
    33   9    -0.08  -0.03   0.03    -0.09  -0.03   0.04    -0.09  -0.09   0.03
    34   9     0.08   0.03   0.03    -0.09  -0.03  -0.04     0.09   0.09   0.03
    35   9     0.02  -0.05  -0.04    -0.02   0.05   0.04     0.00  -0.04  -0.08
    36   1     0.00  -0.07  -0.16    -0.00  -0.07  -0.17     0.04  -0.02   0.10
    37   1     0.02   0.00  -0.06     0.02   0.01  -0.07     0.04  -0.08   0.05
    38   1    -0.00  -0.01   0.04    -0.01  -0.01   0.04     0.10  -0.06   0.13
    39   1    -0.04  -0.04  -0.04    -0.05  -0.04  -0.05     0.08  -0.01   0.15
    40   1     0.10   0.05  -0.14     0.10   0.05  -0.15    -0.05  -0.06   0.16
    41   1     0.06   0.03   0.03     0.06   0.03   0.04    -0.07   0.05  -0.10
    42   1     0.11   0.05   0.16     0.11   0.05   0.15    -0.03   0.06   0.02
    43   1     0.11   0.07   0.21     0.11   0.07   0.22    -0.10  -0.00  -0.24
    44   1     0.02  -0.03  -0.07     0.02  -0.03  -0.07    -0.10   0.02   0.04
    45   1    -0.23  -0.13  -0.04    -0.24  -0.13  -0.04     0.12   0.09   0.04
    46   1    -0.13  -0.10  -0.06    -0.12  -0.10  -0.06    -0.04   0.03   0.04
    47   1     0.01   0.08  -0.00     0.01   0.06   0.01    -0.06   0.03  -0.02
    48   1     0.02   0.02   0.02     0.03   0.00   0.03    -0.09   0.17  -0.09
    49   1    -0.01   0.18  -0.04    -0.01   0.15  -0.04    -0.07   0.07  -0.03
    50   1    -0.11  -0.05   0.16     0.11   0.05  -0.15     0.03  -0.06   0.02
    51   1    -0.06  -0.03   0.03     0.06   0.02  -0.04     0.07  -0.05  -0.10
    52   1    -0.11  -0.07   0.21     0.11   0.07  -0.22     0.10   0.00  -0.24
    53   1     0.13   0.10  -0.06    -0.12  -0.10   0.06     0.04  -0.03   0.04
    54   1     0.23   0.13  -0.04    -0.24  -0.13   0.04    -0.12  -0.09   0.04
    55   1    -0.02   0.03  -0.07     0.02  -0.03   0.07     0.10  -0.02   0.04
    56   1     0.00   0.01   0.04    -0.01  -0.01  -0.04    -0.10   0.06   0.13
    57   1     0.04   0.04  -0.04    -0.05  -0.04   0.05    -0.08   0.01   0.15
    58   1    -0.02  -0.00  -0.06     0.02   0.01   0.07    -0.04   0.08   0.05
    59   1    -0.00   0.07  -0.16    -0.00  -0.07   0.17    -0.04   0.02   0.10
    60   1    -0.10  -0.05  -0.14     0.10   0.05   0.15     0.04   0.06   0.16
    61   1    -0.02  -0.02   0.02     0.03   0.00  -0.03     0.09  -0.17  -0.09
    62   1    -0.01  -0.08  -0.00     0.02   0.06  -0.01     0.06  -0.03  -0.02
    63   1     0.01  -0.18  -0.04    -0.01   0.16   0.04     0.07  -0.07  -0.03
                     61                     62                     63
                      A                      A                      A
 Frequencies --    619.9678               655.7470               657.5680
 Red. masses --      6.5830                 4.6572                 4.7417
 Frc consts  --      1.4908                 1.1799                 1.2080
 IR Inten    --      3.9578                 0.4594                23.5506
 RamAct Fr= 1--      1.3580                 3.7522                 1.1578
  Dep-P Fr= 1--      0.7500                 0.5755                 0.7497
  Dep-U Fr= 1--      0.8571                 0.7306                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0123                 0.0000
 Beta2  Fr= 1--      0.1940                 0.4569                 0.1654
 AlphaG Fr= 1--     -0.0000                 0.5061                 0.0001
 Gamma2 Fr= 1--     -7.6727                -0.7072                -4.4386
 Delta2 Fr= 1--      1.3045                -6.4919                 0.8062
 Raman1 Fr= 1--       5.432                 15.009                  4.631
 ROA1   Fr= 1--    -694.836               -275.635               -400.309
 CID1   Fr= 1--    -127.912                -18.365                -86.438
 Raman2 Fr= 1--       2.328                  5.483                  1.984
 ROA2   Fr= 1--    -194.581                 34.962               -112.976
 CID2   Fr= 1--     -83.582                  6.377                -56.933
 Raman3 Fr= 1--       4.656                 10.965                  3.969
 ROA3   Fr= 1--    -694.836               -275.635               -400.309
 CID3   Fr= 1--    -149.232                -25.137               -100.865
 RC180  Fr= 1--       0.714                  0.461                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.17    -0.11   0.03   0.15    -0.11   0.02   0.14
     2   6    -0.05  -0.02   0.12    -0.13  -0.07   0.05    -0.14  -0.07   0.04
     3   6    -0.02  -0.05  -0.07    -0.02   0.02  -0.00    -0.02   0.02   0.01
     4   6     0.11  -0.02  -0.12     0.03   0.03  -0.12     0.00   0.03  -0.11
     5   6     0.03  -0.01  -0.05     0.08   0.04  -0.06     0.06   0.04  -0.06
     6   6    -0.07   0.07   0.06    -0.02   0.09  -0.02    -0.02   0.08  -0.03
     7   6    -0.03   0.05  -0.04     0.05  -0.10  -0.01     0.05  -0.11  -0.01
     8   8     0.15  -0.00   0.04     0.01  -0.04   0.03    -0.02  -0.05   0.02
     9  29    -0.00  -0.04   0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.00
    10   8    -0.11   0.08   0.02     0.12   0.01   0.00     0.14   0.00  -0.00
    11   6    -0.09   0.03  -0.02     0.09  -0.04   0.02     0.10  -0.05   0.02
    12   6     0.03   0.05   0.01    -0.00  -0.05  -0.01    -0.00  -0.06  -0.02
    13   9    -0.02  -0.06   0.03     0.00   0.04  -0.00     0.00   0.05   0.00
    14   6     0.03  -0.09  -0.05     0.01  -0.00  -0.02     0.01   0.01  -0.01
    15   6    -0.03  -0.01   0.00     0.02  -0.00   0.00     0.04   0.00   0.00
    16   6     0.04   0.03  -0.10     0.02  -0.01  -0.03     0.01  -0.01  -0.01
    17   8     0.15  -0.00  -0.04    -0.01   0.05   0.03    -0.02  -0.05  -0.02
    18   6     0.11  -0.02   0.12    -0.03  -0.03  -0.12     0.00   0.03   0.11
    19   6     0.03  -0.01   0.05    -0.08  -0.04  -0.06     0.06   0.04   0.06
    20   6    -0.04   0.05   0.04    -0.05   0.10  -0.01     0.05  -0.11   0.01
    21   6    -0.05  -0.02  -0.12     0.13   0.07   0.05    -0.13  -0.07  -0.04
    22   6    -0.02  -0.05   0.07     0.02  -0.02  -0.00    -0.02   0.02  -0.01
    23   6    -0.11   0.04  -0.17     0.12  -0.03   0.16    -0.10   0.02  -0.13
    24   6    -0.07   0.07  -0.06     0.02  -0.09  -0.02    -0.02   0.08   0.03
    25   6     0.04   0.03   0.10    -0.02   0.01  -0.03     0.01  -0.01   0.01
    26   6    -0.03  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.00  -0.00
    27   6     0.03  -0.09   0.05    -0.01  -0.00  -0.02     0.01   0.01   0.01
    28   6    -0.09   0.03   0.02    -0.09   0.04   0.02     0.10  -0.04  -0.02
    29   6     0.03   0.05  -0.01     0.00   0.05  -0.01    -0.00  -0.06   0.02
    30   9    -0.02  -0.06  -0.03    -0.00  -0.04  -0.00     0.00   0.05  -0.00
    31   8    -0.11   0.08  -0.02    -0.12  -0.01   0.00     0.14   0.00   0.00
    32   9     0.01  -0.04   0.06    -0.02  -0.04   0.01     0.02   0.05  -0.01
    33   9     0.09   0.07  -0.03     0.07   0.04  -0.01    -0.08  -0.05   0.01
    34   9     0.09   0.07   0.03    -0.06  -0.04  -0.01    -0.08  -0.05  -0.01
    35   9     0.01  -0.04  -0.06     0.02   0.04   0.01     0.02   0.05   0.01
    36   1    -0.05   0.05  -0.02     0.00  -0.06  -0.19     0.01   0.04   0.17
    37   1    -0.09   0.06  -0.07     0.09  -0.01   0.02    -0.06   0.01   0.00
    38   1    -0.11   0.06  -0.19     0.10  -0.01   0.33    -0.08   0.00  -0.32
    39   1    -0.07   0.03  -0.16    -0.02  -0.05   0.08     0.04   0.05  -0.05
    40   1     0.02   0.03  -0.14     0.18   0.13  -0.08    -0.19  -0.14   0.10
    41   1     0.07  -0.04   0.09    -0.00  -0.03  -0.04    -0.01   0.03   0.03
    42   1     0.04  -0.05   0.01    -0.02  -0.03  -0.09     0.01   0.04   0.07
    43   1     0.10   0.01   0.23     0.02   0.00   0.05    -0.04  -0.01  -0.08
    44   1     0.06  -0.00  -0.04     0.01  -0.10   0.02    -0.00   0.10  -0.02
    45   1    -0.11  -0.05  -0.04    -0.15  -0.14   0.05     0.18   0.15  -0.04
    46   1    -0.04  -0.03  -0.03     0.19  -0.01  -0.01    -0.17   0.02   0.01
    47   1     0.04  -0.07   0.04     0.02   0.05  -0.02    -0.02  -0.02   0.01
    48   1     0.05  -0.12   0.07     0.05  -0.09   0.03    -0.05   0.09  -0.03
    49   1     0.05  -0.09   0.04     0.02   0.07  -0.03    -0.02  -0.05   0.02
    50   1     0.04  -0.05  -0.01     0.02   0.03  -0.08     0.01   0.04  -0.08
    51   1     0.07  -0.04  -0.09     0.00   0.03  -0.04    -0.01   0.03  -0.03
    52   1     0.10   0.01  -0.23    -0.02  -0.00   0.05    -0.04  -0.01   0.09
    53   1    -0.04  -0.03   0.03    -0.19   0.01  -0.01    -0.17   0.02  -0.01
    54   1    -0.11  -0.05   0.04     0.15   0.14   0.05     0.18   0.15   0.04
    55   1     0.06  -0.00   0.04    -0.01   0.09   0.02    -0.00   0.10   0.02
    56   1    -0.11   0.06   0.19    -0.10   0.01   0.32    -0.08   0.00   0.32
    57   1    -0.07   0.03   0.16     0.02   0.05   0.08     0.04   0.05   0.05
    58   1    -0.09   0.06   0.07    -0.08   0.01   0.02    -0.06   0.01  -0.00
    59   1    -0.05   0.05   0.02    -0.00   0.05  -0.19     0.01   0.04  -0.18
    60   1     0.02   0.03   0.14    -0.17  -0.13  -0.08    -0.19  -0.14  -0.10
    61   1     0.05  -0.12  -0.07    -0.05   0.08   0.02    -0.05   0.09   0.03
    62   1     0.04  -0.07  -0.04    -0.02  -0.05  -0.02    -0.02  -0.02  -0.01
    63   1     0.05  -0.09  -0.04    -0.02  -0.06  -0.03    -0.02  -0.05  -0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --    696.1093               701.0676               722.5312
 Red. masses --      4.8409                 5.0446                 6.7575
 Frc consts  --      1.3821                 1.4608                 2.0785
 IR Inten    --      0.1121                17.0139                 2.0012
 RamAct Fr= 1--     21.5030                 0.3039                 4.9874
  Dep-P Fr= 1--      0.0341                 0.7498                 0.1894
  Dep-U Fr= 1--      0.0659                 0.8570                 0.3185
 Alpha2 Fr= 1--      0.4411                 0.0000                 0.0696
 Beta2  Fr= 1--      0.2363                 0.0434                 0.2648
 AlphaG Fr= 1--     -3.6971                -0.0000                 0.7467
 Gamma2 Fr= 1--     33.1796               -31.5750                -2.7437
 Delta2 Fr= 1--      0.3293                 1.5481                -2.7507
 Raman1 Fr= 1--      86.012                  1.216                 19.950
 ROA1   Fr= 1--    3195.777              -2981.663               -351.415
 CID1   Fr= 1--      37.155              -2453.025                -17.615
 Raman2 Fr= 1--       2.836                  0.521                  3.177
 ROA2   Fr= 1--     793.676               -770.185                -43.842
 CID2   Fr= 1--     279.894              -1478.701                -13.800
 Raman3 Fr= 1--       5.671                  1.042                  6.354
 ROA3   Fr= 1--    3195.777              -2981.663               -351.415
 CID3   Fr= 1--     563.503              -2862.291                -55.305
 RC180  Fr= 1--      -0.868                  0.714                 -0.363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02  -0.02    -0.01   0.02   0.02     0.02  -0.00   0.03
     2   6    -0.00  -0.07  -0.05    -0.02   0.08   0.04     0.17  -0.05   0.05
     3   6    -0.00  -0.13   0.00    -0.01   0.13   0.00     0.07   0.02   0.01
     4   6    -0.02  -0.08  -0.07     0.01   0.07   0.08    -0.02   0.05  -0.21
     5   6    -0.12   0.02  -0.04     0.13  -0.01   0.04    -0.10   0.00  -0.04
     6   6    -0.02  -0.01  -0.03     0.02   0.01   0.02    -0.06  -0.01   0.06
     7   6     0.02  -0.02   0.02    -0.02   0.02  -0.01     0.05  -0.12  -0.01
     8   8     0.02   0.08   0.02    -0.03  -0.10  -0.03    -0.04   0.04   0.05
     9  29    -0.00  -0.00  -0.00     0.00   0.03  -0.00     0.00   0.00  -0.00
    10   8    -0.03   0.08  -0.00     0.05  -0.10   0.00    -0.01  -0.06  -0.05
    11   6    -0.02  -0.11   0.04     0.03   0.10  -0.05    -0.01   0.04   0.22
    12   6     0.04  -0.06  -0.01    -0.04   0.05   0.01    -0.04   0.09  -0.01
    13   9     0.00   0.01   0.08    -0.00  -0.01  -0.07    -0.08   0.02  -0.15
    14   6    -0.05   0.13   0.04     0.05  -0.13  -0.04    -0.03   0.06   0.01
    15   6     0.10   0.04   0.01    -0.09  -0.03  -0.00    -0.00  -0.02  -0.00
    16   6    -0.02  -0.02   0.08     0.02   0.02  -0.07     0.02  -0.01  -0.03
    17   8    -0.02  -0.08   0.02    -0.03  -0.10   0.03     0.04  -0.04   0.05
    18   6     0.02   0.08  -0.07     0.01   0.07  -0.08     0.02  -0.04  -0.20
    19   6     0.12  -0.02  -0.04     0.13  -0.01  -0.04     0.09  -0.00  -0.04
    20   6    -0.02   0.02   0.02    -0.02   0.02   0.01    -0.05   0.12  -0.01
    21   6     0.00   0.07  -0.05    -0.02   0.08  -0.04    -0.16   0.05   0.05
    22   6     0.00   0.13   0.00    -0.01   0.14  -0.00    -0.06  -0.02   0.01
    23   6    -0.00   0.02  -0.02    -0.01   0.02  -0.02    -0.02   0.00   0.03
    24   6     0.02   0.01  -0.03     0.02   0.01  -0.02     0.06   0.01   0.06
    25   6     0.02   0.02   0.08     0.02   0.02   0.07    -0.02   0.01  -0.02
    26   6    -0.10  -0.04   0.01    -0.09  -0.03   0.00    -0.00   0.02  -0.00
    27   6     0.05  -0.13   0.04     0.05  -0.13   0.04     0.03  -0.06   0.01
    28   6     0.02   0.11   0.04     0.03   0.10   0.05     0.01  -0.04   0.21
    29   6    -0.04   0.06  -0.01    -0.04   0.05  -0.01     0.04  -0.08  -0.01
    30   9    -0.00  -0.01   0.08    -0.00  -0.01   0.07     0.07  -0.02  -0.14
    31   8     0.03  -0.08  -0.00     0.05  -0.10  -0.00     0.01   0.06  -0.05
    32   9    -0.07  -0.03  -0.09    -0.07  -0.03  -0.09     0.00   0.05   0.05
    33   9     0.05  -0.02   0.01     0.04  -0.03   0.01    -0.08  -0.01   0.03
    34   9    -0.05   0.02   0.01     0.04  -0.03  -0.01     0.08   0.01   0.04
    35   9     0.07   0.03  -0.09    -0.07  -0.03   0.09    -0.00  -0.05   0.05
    36   1    -0.05   0.06   0.11    -0.05   0.06   0.13     0.07  -0.01   0.10
    37   1    -0.11  -0.08  -0.14    -0.11  -0.08  -0.13    -0.00   0.03  -0.01
    38   1    -0.02  -0.04   0.09    -0.01  -0.06   0.07     0.01  -0.07  -0.21
    39   1    -0.12   0.01  -0.09    -0.11   0.01  -0.08     0.13   0.03   0.12
    40   1    -0.04   0.06  -0.10    -0.07   0.06  -0.09    -0.16   0.06   0.02
    41   1     0.03  -0.00   0.03     0.03  -0.00   0.03     0.02  -0.07  -0.02
    42   1     0.04   0.01   0.06     0.04   0.01   0.06    -0.04  -0.09  -0.16
    43   1     0.06   0.03   0.13     0.05   0.03   0.12     0.05  -0.01   0.14
    44   1    -0.09  -0.04  -0.00    -0.09  -0.03   0.00     0.03  -0.02   0.00
    45   1    -0.12  -0.06   0.00    -0.11  -0.04   0.00    -0.08  -0.05   0.01
    46   1    -0.10  -0.04  -0.00    -0.10  -0.04  -0.00     0.10   0.02   0.00
    47   1     0.00  -0.33   0.15     0.00  -0.34   0.15     0.00  -0.16   0.06
    48   1    -0.08   0.04   0.01    -0.09   0.06  -0.00    -0.05   0.05  -0.03
    49   1    -0.06  -0.15   0.09    -0.07  -0.15   0.09    -0.03  -0.09   0.04
    50   1    -0.04  -0.01   0.06     0.04   0.01  -0.06     0.04   0.09  -0.17
    51   1    -0.03   0.00   0.03     0.03  -0.00  -0.03    -0.02   0.08  -0.02
    52   1    -0.06  -0.03   0.13     0.05   0.03  -0.12    -0.05   0.01   0.14
    53   1     0.10   0.04  -0.00    -0.10  -0.04   0.00    -0.10  -0.03   0.00
    54   1     0.12   0.06   0.00    -0.11  -0.04  -0.00     0.08   0.05   0.01
    55   1     0.09   0.04  -0.00    -0.09  -0.03  -0.00    -0.03   0.02   0.00
    56   1     0.02   0.04   0.09    -0.01  -0.06  -0.07    -0.01   0.07  -0.22
    57   1     0.12  -0.01  -0.09    -0.11   0.01   0.08    -0.13  -0.03   0.12
    58   1     0.11   0.08  -0.14    -0.11  -0.08   0.13     0.00  -0.03  -0.01
    59   1     0.06  -0.06   0.11    -0.05   0.06  -0.13    -0.08   0.01   0.10
    60   1     0.04  -0.06  -0.11    -0.07   0.06   0.09     0.17  -0.06   0.02
    61   1     0.08  -0.05   0.01    -0.09   0.06   0.00     0.05  -0.05  -0.03
    62   1    -0.00   0.33   0.15     0.00  -0.33  -0.15    -0.00   0.17   0.07
    63   1     0.06   0.15   0.09    -0.06  -0.15  -0.09     0.03   0.09   0.04
                     67                     68                     69
                      A                      A                      A
 Frequencies --    723.1417               748.4054               748.6068
 Red. masses --      6.7687                 4.4178                 4.5994
 Frc consts  --      2.0855                 1.4579                 1.5186
 IR Inten    --     27.5306                13.6250                 1.3158
 RamAct Fr= 1--      3.2207                 3.7870                15.5666
  Dep-P Fr= 1--      0.7497                 0.7231                 0.2864
  Dep-U Fr= 1--      0.8569                 0.8393                 0.4453
 Alpha2 Fr= 1--      0.0000                 0.0018                 0.1662
 Beta2  Fr= 1--      0.4600                 0.5297                 1.1552
 AlphaG Fr= 1--      0.0003                 0.0099                 0.9516
 Gamma2 Fr= 1--      2.9418                -4.9372                12.7459
 Delta2 Fr= 1--      4.0871                 3.1020                -1.6709
 Raman1 Fr= 1--      12.883                 15.148                 62.266
 ROA1   Fr= 1--     413.198               -374.704               1170.137
 CID1   Fr= 1--      32.074                -24.736                 18.792
 Raman2 Fr= 1--       5.520                  6.357                 13.862
 ROA2   Fr= 1--      37.906               -143.309                319.269
 CID2   Fr= 1--       6.867                -22.544                 23.031
 Raman3 Fr= 1--      11.040                 12.713                 27.725
 ROA3   Fr= 1--     413.198               -374.704               1170.137
 CID3   Fr= 1--      37.429                -29.473                 42.205
 RC180  Fr= 1--       0.714                  0.679                 -0.109
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.04  -0.00  -0.04     0.04  -0.00  -0.04
     2   6    -0.16   0.04  -0.05     0.00   0.06  -0.00    -0.00   0.05  -0.01
     3   6    -0.06  -0.03  -0.01    -0.03   0.02  -0.05    -0.03   0.02  -0.05
     4   6     0.02  -0.05   0.20    -0.02   0.02  -0.06    -0.02   0.02  -0.05
     5   6     0.08  -0.00   0.03     0.11  -0.01   0.09     0.09  -0.01   0.08
     6   6     0.05   0.01  -0.06     0.04  -0.02   0.06     0.03  -0.02   0.05
     7   6    -0.05   0.12   0.01    -0.02   0.05   0.01    -0.02   0.05   0.01
     8   8     0.05  -0.03  -0.04    -0.05  -0.03   0.01    -0.04  -0.03   0.01
     9  29    -0.00  -0.01  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.07   0.05    -0.04   0.04  -0.04    -0.03   0.03  -0.04
    11   6    -0.00  -0.04  -0.21    -0.03  -0.05   0.23    -0.03  -0.04   0.20
    12   6     0.04  -0.08   0.01     0.03  -0.07  -0.02     0.02  -0.05  -0.02
    13   9     0.07  -0.02   0.14    -0.01   0.03   0.05    -0.01   0.03   0.03
    14   6     0.03  -0.05  -0.01     0.03  -0.03   0.01     0.03  -0.03   0.01
    15   6     0.01   0.03   0.00    -0.05  -0.01   0.01    -0.03  -0.00   0.00
    16   6    -0.02   0.01   0.03     0.01   0.02  -0.05     0.01   0.02  -0.03
    17   8     0.05  -0.03   0.05    -0.04  -0.03  -0.00     0.05   0.03   0.01
    18   6     0.02  -0.05  -0.21    -0.02   0.02   0.05     0.02  -0.02  -0.06
    19   6     0.08  -0.00  -0.03     0.09  -0.01  -0.07    -0.11   0.01   0.09
    20   6    -0.05   0.12  -0.01    -0.02   0.04  -0.01     0.03  -0.06   0.01
    21   6    -0.17   0.04   0.05     0.00   0.05  -0.00     0.00  -0.06  -0.01
    22   6    -0.07  -0.03   0.01    -0.03   0.02   0.04     0.03  -0.02  -0.06
    23   6    -0.02  -0.00   0.03     0.04  -0.00   0.04    -0.05   0.00  -0.05
    24   6     0.06   0.01   0.06     0.03  -0.01  -0.05    -0.04   0.02   0.06
    25   6    -0.02   0.01  -0.03     0.01   0.02   0.04    -0.01  -0.02  -0.04
    26   6     0.01   0.03  -0.00    -0.04  -0.01  -0.00     0.04   0.00   0.01
    27   6     0.03  -0.05   0.01     0.03  -0.03  -0.00    -0.03   0.04   0.01
    28   6    -0.00  -0.04   0.22    -0.03  -0.04  -0.18     0.03   0.05   0.24
    29   6     0.04  -0.09  -0.01     0.03  -0.06   0.02    -0.03   0.07  -0.02
    30   9     0.08  -0.02  -0.15    -0.01   0.03  -0.04     0.01  -0.03   0.04
    31   8     0.01   0.07  -0.05    -0.03   0.04   0.04     0.04  -0.04  -0.05
    32   9     0.01   0.05   0.05     0.09   0.02   0.09    -0.11  -0.02  -0.11
    33   9    -0.08  -0.01   0.03    -0.07  -0.03  -0.00     0.08   0.04   0.00
    34   9    -0.08  -0.00  -0.03    -0.08  -0.04   0.00    -0.07  -0.03   0.00
    35   9     0.01   0.05  -0.05     0.11   0.02  -0.11     0.09   0.02  -0.09
    36   1     0.08  -0.02   0.08    -0.10   0.09   0.19     0.12  -0.10  -0.22
    37   1     0.01   0.04   0.00    -0.14  -0.19  -0.18     0.17   0.23   0.23
    38   1     0.02  -0.07  -0.23     0.02  -0.09   0.17    -0.03   0.11  -0.20
    39   1     0.15   0.03   0.13    -0.13   0.04  -0.02     0.14  -0.05   0.00
    40   1    -0.16   0.06   0.03    -0.01   0.06  -0.07     0.03  -0.07   0.08
    41   1     0.01  -0.08  -0.03     0.02  -0.00   0.04    -0.02   0.01  -0.05
    42   1    -0.04  -0.10  -0.18     0.01  -0.01   0.00    -0.01   0.01   0.01
    43   1     0.05  -0.02   0.14     0.04   0.01   0.08    -0.05  -0.02  -0.11
    44   1     0.04  -0.02   0.00    -0.04  -0.04   0.01     0.04   0.05  -0.01
    45   1    -0.07  -0.05   0.01    -0.08  -0.05   0.01     0.10   0.07  -0.01
    46   1     0.11   0.03   0.00     0.02  -0.01  -0.00    -0.04   0.00   0.01
    47   1     0.00  -0.14   0.05     0.00  -0.20   0.10    -0.01   0.24  -0.12
    48   1    -0.04   0.04  -0.03    -0.06   0.10  -0.00     0.07  -0.11  -0.00
    49   1    -0.02  -0.08   0.04    -0.06   0.01   0.03     0.07  -0.02  -0.03
    50   1    -0.04  -0.09   0.18     0.01  -0.01  -0.00     0.01  -0.01   0.01
    51   1     0.01  -0.08   0.03     0.02  -0.00  -0.05     0.02  -0.00  -0.04
    52   1     0.05  -0.02  -0.13     0.04   0.02  -0.10     0.04   0.01  -0.09
    53   1     0.11   0.03  -0.00     0.03  -0.01   0.00     0.04  -0.00   0.00
    54   1    -0.07  -0.05  -0.01    -0.10  -0.06  -0.01    -0.09  -0.06  -0.01
    55   1     0.04  -0.02  -0.00    -0.05  -0.05  -0.01    -0.03  -0.04  -0.01
    56   1     0.02  -0.06   0.22     0.03  -0.11  -0.20     0.03  -0.09  -0.16
    57   1     0.14   0.03  -0.13    -0.16   0.05   0.02    -0.12   0.04   0.00
    58   1     0.01   0.04  -0.00    -0.17  -0.23   0.22    -0.14  -0.19   0.19
    59   1     0.08  -0.02  -0.08    -0.12   0.10  -0.22    -0.10   0.08  -0.18
    60   1    -0.16   0.05  -0.02    -0.02   0.07   0.09    -0.02   0.06   0.07
    61   1    -0.04   0.04   0.03    -0.08   0.12   0.00    -0.06   0.09  -0.00
    62   1     0.00  -0.13  -0.05     0.00  -0.24  -0.12     0.00  -0.19  -0.10
    63   1    -0.02  -0.08  -0.03    -0.07   0.02  -0.03    -0.06   0.02  -0.03
                     70                     71                     72
                      A                      A                      A
 Frequencies --    758.3131               760.4065               820.4215
 Red. masses --      3.6695                 3.4605                 3.2168
 Frc consts  --      1.2432                 1.1789                 1.2757
 IR Inten    --     10.5370                 4.5752                 2.9348
 RamAct Fr= 1--      0.2636                17.2476                 1.8858
  Dep-P Fr= 1--      0.7476                 0.5848                 0.3344
  Dep-U Fr= 1--      0.8556                 0.7380                 0.5012
 Alpha2 Fr= 1--      0.0000                 0.0533                 0.0174
 Beta2  Fr= 1--      0.0376                 2.1216                 0.1575
 AlphaG Fr= 1--     -0.0000                 0.4514                 0.1457
 Gamma2 Fr= 1--     -3.2764               -30.3597                11.5892
 Delta2 Fr= 1--      1.7614                -2.5737                -1.5964
 Raman1 Fr= 1--       1.054                 68.990                  7.543
 ROA1   Fr= 1--    -258.173              -2996.890               1061.480
 CID1   Fr= 1--    -244.852                -43.439                140.717
 Raman2 Fr= 1--       0.451                 25.459                  1.890
 ROA2   Fr= 1--     -92.726               -708.043                290.912
 CID2   Fr= 1--    -205.571                -27.811                153.899
 Raman3 Fr= 1--       0.902                 50.918                  3.781
 ROA3   Fr= 1--    -258.173              -2996.890               1061.480
 CID3   Fr= 1--    -286.181                -58.857                280.774
 RC180  Fr= 1--       0.711                  0.476                  0.002
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.05    -0.03  -0.03  -0.04    -0.02  -0.01   0.00
     2   6    -0.13  -0.01  -0.10    -0.13  -0.01  -0.09     0.05   0.01   0.00
     3   6    -0.02   0.02  -0.04    -0.01   0.02  -0.04     0.02   0.11   0.00
     4   6     0.05  -0.01   0.00     0.06  -0.01   0.01     0.06   0.10   0.02
     5   6    -0.02  -0.01   0.03    -0.02  -0.01   0.02    -0.04   0.02  -0.04
     6   6    -0.02  -0.06   0.04    -0.02  -0.05   0.03    -0.08  -0.05   0.02
     7   6    -0.05   0.10   0.01    -0.04   0.10   0.01     0.02  -0.03  -0.01
     8   8     0.08  -0.02  -0.00     0.08  -0.02  -0.01     0.03  -0.04  -0.01
     9  29    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.06  -0.01  -0.04     0.06  -0.01  -0.03    -0.04  -0.04  -0.01
    11   6     0.04  -0.01   0.15     0.04  -0.01   0.13    -0.02   0.11   0.03
    12   6    -0.02   0.03  -0.00    -0.02   0.03  -0.00     0.00  -0.02  -0.00
    13   9    -0.05   0.02  -0.08    -0.04   0.02  -0.08     0.03  -0.01   0.06
    14   6    -0.00  -0.02  -0.00    -0.00  -0.02  -0.01    -0.00  -0.03  -0.03
    15   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.02  -0.01  -0.01
    16   6    -0.02   0.01   0.05    -0.02   0.01   0.05    -0.00  -0.01   0.01
    17   8     0.08  -0.02   0.00    -0.08   0.02  -0.01    -0.03   0.04  -0.01
    18   6     0.05  -0.01  -0.00    -0.06   0.01   0.01    -0.06  -0.10   0.02
    19   6    -0.02  -0.01  -0.03     0.02   0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.05   0.10  -0.01     0.04  -0.10   0.01    -0.02   0.03  -0.01
    21   6    -0.13  -0.01   0.10     0.13   0.01  -0.09    -0.05  -0.01   0.00
    22   6    -0.02   0.02   0.04     0.01  -0.02  -0.04    -0.02  -0.11   0.00
    23   6    -0.02  -0.03   0.05     0.03   0.03  -0.04     0.02   0.01   0.00
    24   6    -0.02  -0.05  -0.04     0.02   0.05   0.03     0.08   0.05   0.02
    25   6    -0.02   0.01  -0.05     0.02  -0.01   0.05     0.00   0.01   0.01
    26   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.02   0.01  -0.01
    27   6    -0.00  -0.02   0.00     0.00   0.02  -0.01     0.00   0.03  -0.03
    28   6     0.04  -0.01  -0.15    -0.04   0.01   0.13     0.02  -0.10   0.02
    29   6    -0.02   0.03   0.00     0.02  -0.03  -0.00    -0.00   0.02  -0.00
    30   9    -0.04   0.02   0.08     0.04  -0.02  -0.08    -0.03   0.01   0.06
    31   8     0.06  -0.01   0.03    -0.06   0.01  -0.03     0.04   0.04  -0.01
    32   9    -0.01  -0.02  -0.03     0.01   0.02   0.04    -0.05  -0.02  -0.05
    33   9     0.03   0.00  -0.01    -0.03  -0.00   0.01     0.07   0.06  -0.02
    34   9     0.03   0.00   0.01     0.03   0.00   0.01    -0.07  -0.07  -0.02
    35   9    -0.01  -0.02   0.03    -0.01  -0.02   0.04     0.05   0.02  -0.05
    36   1     0.07  -0.13  -0.15    -0.08   0.13   0.16    -0.12   0.20   0.33
    37   1     0.03   0.11  -0.03    -0.04  -0.13   0.02    -0.11  -0.28  -0.08
    38   1     0.01   0.05  -0.27    -0.01  -0.06   0.29     0.02  -0.24   0.08
    39   1     0.24   0.01   0.20    -0.25  -0.01  -0.20    -0.17   0.13  -0.01
    40   1    -0.17  -0.03   0.08     0.17   0.03  -0.09    -0.01   0.01  -0.00
    41   1     0.00  -0.06  -0.03    -0.00   0.06   0.04     0.01  -0.01   0.02
    42   1    -0.04  -0.08  -0.17     0.04   0.08   0.16    -0.01  -0.02  -0.03
    43   1     0.03  -0.01   0.08    -0.03   0.01  -0.08     0.02  -0.00   0.06
    44   1     0.10  -0.03  -0.00    -0.10   0.02   0.00     0.01   0.00  -0.00
    45   1    -0.08  -0.07   0.01     0.08   0.07  -0.01    -0.00  -0.00  -0.01
    46   1     0.18   0.03  -0.01    -0.17  -0.03   0.01     0.03   0.01  -0.01
    47   1     0.02   0.02  -0.01    -0.02  -0.02   0.01     0.02  -0.04   0.05
    48   1     0.04  -0.08   0.02    -0.04   0.08  -0.02    -0.02   0.06   0.02
    49   1     0.03  -0.00  -0.01    -0.03   0.01   0.01    -0.03   0.14  -0.02
    50   1    -0.04  -0.08   0.17    -0.04  -0.08   0.16     0.01   0.02  -0.03
    51   1     0.00  -0.06   0.03     0.00  -0.06   0.04    -0.01   0.01   0.02
    52   1     0.03  -0.01  -0.08     0.03  -0.01  -0.08    -0.02   0.00   0.06
    53   1     0.18   0.03   0.01     0.17   0.03   0.01    -0.03  -0.01  -0.01
    54   1    -0.09  -0.07  -0.01    -0.08  -0.07  -0.01     0.00   0.00  -0.01
    55   1     0.10  -0.03   0.00     0.10  -0.02   0.00    -0.01  -0.00  -0.00
    56   1     0.01   0.05   0.27     0.00   0.06   0.28    -0.02   0.24   0.08
    57   1     0.24   0.01  -0.21     0.25   0.01  -0.20     0.17  -0.13  -0.01
    58   1     0.03   0.12   0.03     0.04   0.13   0.02     0.11   0.28  -0.08
    59   1     0.07  -0.13   0.15     0.08  -0.13   0.16     0.12  -0.21   0.33
    60   1    -0.17  -0.03  -0.08    -0.17  -0.03  -0.09     0.01  -0.01  -0.00
    61   1     0.04  -0.08  -0.02     0.04  -0.08  -0.02     0.02  -0.06   0.02
    62   1     0.02   0.02   0.01     0.02   0.02   0.01    -0.02   0.04   0.05
    63   1     0.03  -0.00   0.01     0.03  -0.01   0.01     0.03  -0.14  -0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --    822.1701               834.3695               834.5893
 Red. masses --      3.0698                 4.9944                 4.8930
 Frc consts  --      1.2226                 2.0486                 2.0080
 IR Inten    --     49.2637                 3.1925                11.8175
 RamAct Fr= 1--      0.2504                 2.7130                 2.1494
  Dep-P Fr= 1--      0.7492                 0.7500                 0.3336
  Dep-U Fr= 1--      0.8566                 0.8571                 0.5003
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0199
 Beta2  Fr= 1--      0.0357                 0.3876                 0.1792
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.4790
 Gamma2 Fr= 1--     23.0765                 2.3162                -0.5687
 Delta2 Fr= 1--     -1.2715                 0.2449                -1.1979
 Raman1 Fr= 1--       1.001                 10.852                  8.598
 ROA1   Fr= 1--    2174.654                230.192                -92.926
 CID1   Fr= 1--    2171.471                 21.212                -10.808
 Raman2 Fr= 1--       0.429                  4.651                  2.151
 ROA2   Fr= 1--     564.008                 53.630                 -4.065
 CID2   Fr= 1--    1314.886                 11.531                 -1.890
 Raman3 Fr= 1--       0.858                  9.302                  4.302
 ROA3   Fr= 1--    2174.654                230.192                -92.926
 CID3   Fr= 1--    2534.914                 24.747                -21.601
 RC180  Fr= 1--       0.713                  0.714                  0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00     0.03  -0.02  -0.07    -0.03   0.02   0.07
     2   6     0.05   0.01   0.00    -0.00  -0.07  -0.07     0.00   0.07   0.07
     3   6     0.02   0.11  -0.00    -0.00   0.00   0.20     0.00   0.00  -0.20
     4   6     0.06   0.10   0.03     0.01   0.06  -0.23    -0.01  -0.06   0.23
     5   6    -0.04   0.02  -0.04     0.02   0.01  -0.01    -0.03  -0.01   0.01
     6   6    -0.08  -0.05   0.02    -0.01  -0.05   0.16     0.01   0.05  -0.16
     7   6     0.02  -0.03  -0.01    -0.03   0.06   0.00     0.03  -0.06  -0.00
     8   8     0.03  -0.04  -0.01    -0.01  -0.02   0.05     0.01   0.02  -0.05
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8    -0.04  -0.04  -0.01     0.00  -0.01   0.03    -0.01   0.01  -0.03
    11   6    -0.02   0.10   0.03     0.00   0.05  -0.14    -0.00  -0.04   0.14
    12   6     0.00  -0.02  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    13   9     0.03  -0.01   0.06     0.03  -0.02   0.03    -0.02   0.01  -0.03
    14   6    -0.00  -0.03  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    15   6    -0.02  -0.01  -0.01     0.01   0.03   0.00    -0.01  -0.03  -0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    17   8     0.03  -0.04   0.01    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05
    18   6     0.06   0.10  -0.03     0.01   0.07   0.23     0.01   0.06   0.22
    19   6    -0.04   0.02   0.04     0.02   0.01   0.01     0.03   0.01   0.01
    20   6     0.02  -0.03   0.01    -0.03   0.06  -0.00    -0.03   0.06  -0.00
    21   6     0.05   0.01  -0.00    -0.00  -0.07   0.07    -0.00  -0.07   0.07
    22   6     0.02   0.11   0.00    -0.00   0.00  -0.20    -0.00  -0.00  -0.19
    23   6    -0.02  -0.01  -0.00     0.03  -0.02   0.07     0.03  -0.02   0.07
    24   6    -0.08  -0.05  -0.02    -0.01  -0.06  -0.17    -0.01  -0.05  -0.16
    25   6    -0.00  -0.01  -0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    26   6    -0.02  -0.01   0.01     0.01   0.03  -0.00     0.01   0.03  -0.00
    27   6    -0.00  -0.03   0.03     0.01   0.00   0.01     0.01   0.00   0.01
    28   6    -0.02   0.10  -0.03     0.00   0.05   0.14     0.00   0.04   0.14
    29   6     0.00  -0.02   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    30   9     0.03  -0.01  -0.06     0.03  -0.02  -0.03     0.02  -0.01  -0.03
    31   8    -0.04  -0.04   0.01     0.00  -0.01  -0.03     0.00  -0.01  -0.03
    32   9     0.05   0.01   0.05    -0.01   0.01  -0.01    -0.01   0.01  -0.01
    33   9    -0.07  -0.06   0.02    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    34   9    -0.07  -0.06  -0.02    -0.01  -0.01  -0.01     0.01   0.01   0.01
    35   9     0.05   0.01  -0.05    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1     0.13  -0.21  -0.33    -0.14   0.04   0.03    -0.14   0.05   0.04
    37   1     0.11   0.29   0.08    -0.15  -0.17  -0.28    -0.15  -0.18  -0.27
    38   1    -0.02   0.24  -0.09     0.03   0.03   0.02     0.03   0.02   0.02
    39   1     0.18  -0.13   0.01     0.05   0.17   0.21     0.04   0.18   0.21
    40   1     0.02  -0.01   0.00    -0.02  -0.07   0.03    -0.02  -0.07   0.02
    41   1    -0.01   0.01  -0.02     0.01  -0.04  -0.02     0.01  -0.04  -0.02
    42   1     0.01   0.02   0.03    -0.01  -0.04  -0.09    -0.01  -0.05  -0.09
    43   1    -0.02   0.00  -0.06     0.04   0.00   0.08     0.04   0.00   0.08
    44   1    -0.01  -0.00   0.00     0.06  -0.05   0.00     0.06  -0.05   0.00
    45   1     0.00   0.00   0.01    -0.12  -0.09   0.02    -0.11  -0.09   0.02
    46   1    -0.03  -0.01   0.01     0.17   0.02  -0.02     0.17   0.02  -0.02
    47   1    -0.02   0.04  -0.05    -0.02   0.01  -0.03    -0.02   0.01  -0.03
    48   1     0.01  -0.05  -0.02    -0.01   0.02  -0.02    -0.01   0.02  -0.02
    49   1     0.03  -0.14   0.03     0.02  -0.08   0.01     0.02  -0.07   0.01
    50   1     0.01   0.02  -0.03    -0.01  -0.04   0.09     0.01   0.05  -0.10
    51   1    -0.01   0.01   0.02     0.01  -0.04   0.02    -0.01   0.04  -0.02
    52   1    -0.02   0.00   0.06     0.04   0.00  -0.08    -0.04  -0.00   0.08
    53   1    -0.03  -0.01  -0.01     0.17   0.02   0.02    -0.17  -0.02  -0.02
    54   1     0.00   0.00  -0.01    -0.12  -0.09  -0.02     0.12   0.09   0.02
    55   1    -0.01  -0.00  -0.00     0.06  -0.05  -0.00    -0.07   0.05   0.00
    56   1    -0.02   0.24   0.09     0.03   0.03  -0.01    -0.03  -0.02   0.02
    57   1     0.18  -0.13  -0.01     0.05   0.17  -0.21    -0.04  -0.18   0.21
    58   1     0.11   0.29  -0.08    -0.15  -0.17   0.27     0.15   0.18  -0.28
    59   1     0.13  -0.21   0.32    -0.14   0.04  -0.03     0.14  -0.05   0.04
    60   1     0.02  -0.01  -0.00    -0.02  -0.07  -0.02     0.02   0.07   0.03
    61   1     0.01  -0.05   0.02    -0.01   0.02   0.02     0.01  -0.02  -0.02
    62   1    -0.02   0.04   0.05    -0.02   0.01   0.03     0.02  -0.01  -0.03
    63   1     0.03  -0.14  -0.03     0.02  -0.08  -0.01    -0.02   0.08   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --    866.0888               866.1979               883.6098
 Red. masses --      1.6826                 1.6615                 2.8311
 Frc consts  --      0.7436                 0.7345                 1.3024
 IR Inten    --      6.5753                 0.4193                 2.3271
 RamAct Fr= 1--      0.7053                 6.3001                 2.2576
  Dep-P Fr= 1--      0.7485                 0.7349                 0.5149
  Dep-U Fr= 1--      0.8562                 0.8472                 0.6798
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0104
 Beta2  Fr= 1--      0.1006                 0.8896                 0.2558
 AlphaG Fr= 1--     -0.0009                 0.1093                -0.3332
 Gamma2 Fr= 1--     14.9867                22.3807                 3.6466
 Delta2 Fr= 1--      0.2659                -0.0382                 1.4732
 Raman1 Fr= 1--       2.821                 25.200                  9.030
 ROA1   Fr= 1--    1447.230               2147.328                397.214
 CID1   Fr= 1--     512.981                 85.210                 43.987
 Raman2 Fr= 1--       1.208                 10.675                  3.069
 ROA2   Fr= 1--     357.554                537.444                 75.733
 CID2   Fr= 1--     296.051                 50.347                 24.673
 Raman3 Fr= 1--       2.415                 21.350                  6.139
 ROA3   Fr= 1--    1447.230               2147.328                397.214
 CID3   Fr= 1--     599.146                100.580                 64.705
 RC180  Fr= 1--       0.712                  0.694                  0.360
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.03     0.03   0.02   0.02     0.02  -0.01  -0.04
     2   6     0.04   0.02   0.02    -0.03  -0.02  -0.02    -0.05   0.08   0.03
     3   6     0.01  -0.04   0.01    -0.01   0.03  -0.01    -0.02   0.03   0.05
     4   6    -0.03  -0.01  -0.06     0.03   0.01   0.05     0.03   0.01  -0.08
     5   6     0.08  -0.01   0.06    -0.07   0.01  -0.04    -0.06  -0.05   0.10
     6   6    -0.03  -0.00  -0.04     0.02   0.00   0.04     0.02   0.02  -0.08
     7   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01  -0.02   0.01
     8   8    -0.05   0.01   0.01     0.04  -0.01  -0.01     0.05  -0.01   0.02
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.01  -0.01  -0.01     0.00  -0.01   0.01
    11   6    -0.00  -0.04  -0.02     0.00   0.03   0.01     0.00   0.03  -0.02
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9    -0.01   0.00  -0.01     0.00  -0.00   0.01     0.01  -0.00   0.01
    14   6     0.03   0.01   0.03    -0.03  -0.01  -0.03    -0.03  -0.03   0.04
    15   6    -0.03  -0.01  -0.01     0.02   0.01   0.00     0.01  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.01  -0.02
    17   8    -0.04   0.01  -0.01    -0.05   0.01  -0.01    -0.07   0.02   0.02
    18   6    -0.03  -0.01   0.05    -0.03  -0.01   0.06    -0.04  -0.01  -0.11
    19   6     0.07  -0.01  -0.05     0.08  -0.01  -0.05     0.09   0.07   0.14
    20   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.03   0.01
    21   6     0.03   0.02  -0.02     0.04   0.02  -0.02     0.08  -0.11   0.04
    22   6     0.01  -0.04  -0.01     0.01  -0.04  -0.01     0.03  -0.04   0.07
    23   6    -0.04  -0.02   0.02    -0.04  -0.02   0.03    -0.03   0.01  -0.05
    24   6    -0.02  -0.00   0.04    -0.03  -0.00   0.04    -0.03  -0.02  -0.11
    25   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03   0.02  -0.03
    26   6    -0.02  -0.01   0.00    -0.03  -0.01   0.00    -0.01   0.01   0.00
    27   6     0.03   0.01  -0.03     0.03   0.01  -0.03     0.04   0.04   0.06
    28   6    -0.00  -0.03   0.02    -0.00  -0.03   0.02    -0.00  -0.04  -0.03
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9    -0.01   0.00   0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.01   0.01
    32   9    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    33   9     0.01   0.02  -0.00     0.01   0.02  -0.00     0.01   0.02  -0.01
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    35   9    -0.01  -0.00   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    36   1     0.17  -0.17  -0.03     0.20  -0.20  -0.04     0.02  -0.07  -0.03
    37   1    -0.00   0.27  -0.01    -0.00   0.32  -0.02    -0.02  -0.00  -0.11
    38   1    -0.02   0.20  -0.17    -0.03   0.24  -0.20    -0.04   0.13   0.02
    39   1     0.24  -0.16   0.06     0.29  -0.19   0.07    -0.03   0.11   0.01
    40   1     0.11   0.07  -0.04     0.13   0.08  -0.05     0.12  -0.10   0.09
    41   1     0.00   0.00   0.02     0.00   0.00   0.02     0.02  -0.08  -0.09
    42   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01     0.01  -0.08  -0.15
    43   1     0.00  -0.00   0.01     0.00  -0.00   0.01     0.07   0.00   0.14
    44   1    -0.03  -0.01   0.01    -0.04  -0.02   0.01    -0.01  -0.02   0.01
    45   1    -0.02  -0.01   0.01    -0.03  -0.01   0.01    -0.02  -0.02   0.02
    46   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02     0.05   0.01   0.01
    47   1     0.00  -0.17   0.09     0.00  -0.20   0.11    -0.12   0.04  -0.15
    48   1    -0.08   0.16  -0.02    -0.09   0.19  -0.02    -0.13   0.26  -0.25
    49   1    -0.08   0.07   0.01    -0.10   0.07   0.02     0.02  -0.46   0.10
    50   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.00   0.05  -0.11
    51   1     0.00   0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.06  -0.06
    52   1     0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.05  -0.00   0.10
    53   1    -0.01  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01   0.01
    54   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.02   0.01   0.02
    55   1    -0.03  -0.02  -0.01     0.03   0.01   0.01     0.01   0.01   0.01
    56   1    -0.03   0.24   0.21     0.02  -0.21  -0.17     0.03  -0.09   0.01
    57   1     0.29  -0.19  -0.08    -0.24   0.16   0.06     0.02  -0.08   0.01
    58   1    -0.00   0.32   0.02     0.00  -0.27  -0.01     0.02   0.00  -0.07
    59   1     0.20  -0.20   0.04    -0.17   0.17  -0.03    -0.01   0.05  -0.02
    60   1     0.13   0.08   0.04    -0.11  -0.07  -0.04    -0.09   0.07   0.06
    61   1    -0.09   0.19   0.02     0.08  -0.16  -0.02     0.09  -0.18  -0.17
    62   1     0.00  -0.20  -0.11    -0.00   0.17   0.09     0.09  -0.03  -0.10
    63   1    -0.10   0.08  -0.02     0.08  -0.06   0.01    -0.01   0.32   0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --    883.8071               904.6125               904.7009
 Red. masses --      2.8365                 2.9155                 2.9145
 Frc consts  --      1.3054                 1.4057                 1.4055
 IR Inten    --      4.3824                 1.0700                 1.5170
 RamAct Fr= 1--      4.4294                19.0872                 6.2165
  Dep-P Fr= 1--      0.7462                 0.0247                 0.3830
  Dep-U Fr= 1--      0.8546                 0.0483                 0.5538
 Alpha2 Fr= 1--      0.0003                 0.4003                 0.0489
 Beta2  Fr= 1--      0.6309                 0.1536                 0.5738
 AlphaG Fr= 1--     -0.0096                 0.9521                 0.1176
 Gamma2 Fr= 1--    -32.6326                -6.1926                -0.8495
 Delta2 Fr= 1--     -0.7841                -1.0788                 0.6431
 Raman1 Fr= 1--      17.718                 76.349                 24.866
 ROA1   Fr= 1--   -3157.817               -629.011                -60.975
 CID1   Fr= 1--    -178.230                 -8.239                 -2.452
 Raman2 Fr= 1--       7.571                  1.843                  6.886
 ROA2   Fr= 1--    -776.909               -139.992                -25.533
 CID2   Fr= 1--    -102.615                -75.951                 -3.708
 Raman3 Fr= 1--      15.142                  3.686                 13.772
 ROA3   Fr= 1--   -3157.817               -629.011                -60.975
 CID3   Fr= 1--    -208.544               -170.632                 -4.428
 RC180  Fr= 1--       0.709                 -0.903                  0.108
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.05     0.05  -0.04  -0.06    -0.10   0.07   0.12
     2   6    -0.08   0.11   0.04    -0.00  -0.10   0.06     0.01   0.21  -0.14
     3   6    -0.03   0.04   0.07    -0.00   0.01  -0.01     0.01  -0.02   0.03
     4   6     0.05   0.01  -0.11     0.00   0.01   0.02    -0.00  -0.02  -0.03
     5   6    -0.09  -0.07   0.14     0.00  -0.00   0.00    -0.00   0.01   0.00
     6   6     0.03   0.03  -0.11    -0.04   0.09  -0.02     0.08  -0.18   0.04
     7   6     0.02  -0.03   0.01    -0.01   0.01  -0.01     0.02  -0.02   0.02
     8   8     0.07  -0.02   0.02    -0.00  -0.00  -0.00     0.01   0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01   0.01     0.01  -0.00  -0.00    -0.02   0.00   0.00
    11   6    -0.00   0.04  -0.03     0.00   0.01   0.01    -0.01  -0.02  -0.01
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   9     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.04  -0.04   0.06     0.00  -0.01   0.01    -0.00   0.01  -0.01
    15   6     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.02   0.00
    16   6     0.03  -0.02  -0.03    -0.01   0.01   0.01     0.02  -0.02  -0.01
    17   8     0.05  -0.02  -0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
    18   6     0.03   0.01   0.08    -0.01  -0.02   0.03    -0.00  -0.01   0.02
    19   6    -0.06  -0.05  -0.10    -0.00   0.01   0.00    -0.00   0.00  -0.00
    20   6     0.01  -0.02  -0.01     0.02  -0.02  -0.02     0.01  -0.01  -0.01
    21   6    -0.05   0.08  -0.03     0.01   0.21   0.14     0.00   0.10   0.07
    22   6    -0.02   0.03  -0.05     0.01  -0.02  -0.03     0.00  -0.01  -0.01
    23   6     0.02  -0.01   0.04    -0.10   0.07  -0.12    -0.05   0.04  -0.06
    24   6     0.02   0.02   0.08     0.08  -0.18  -0.04     0.04  -0.09  -0.02
    25   6     0.02  -0.01   0.02     0.02  -0.02   0.01     0.01  -0.01   0.01
    26   6     0.01  -0.00  -0.00    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00
    27   6    -0.03  -0.03  -0.04    -0.00   0.01   0.01    -0.00   0.00   0.00
    28   6    -0.00   0.03   0.02    -0.01  -0.02   0.01    -0.00  -0.01   0.01
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    30   9     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00  -0.01  -0.01    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    32   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    34   9    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   9     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.05   0.02     0.10  -0.22   0.11     0.05  -0.10   0.05
    37   1     0.02   0.00   0.08     0.12  -0.30   0.02     0.06  -0.14   0.01
    38   1     0.03  -0.09  -0.01    -0.09  -0.03  -0.22    -0.04  -0.02  -0.10
    39   1     0.02  -0.08  -0.01    -0.06   0.03  -0.13    -0.03   0.02  -0.06
    40   1    -0.09   0.07  -0.06     0.20   0.25   0.47     0.10   0.12   0.22
    41   1    -0.01   0.06   0.06    -0.02   0.08   0.01    -0.01   0.04   0.00
    42   1    -0.00   0.05   0.10     0.02   0.09   0.17     0.01   0.04   0.08
    43   1    -0.05  -0.00  -0.10    -0.05   0.02  -0.16    -0.02   0.01  -0.08
    44   1     0.01   0.01  -0.01    -0.08  -0.02   0.02    -0.04  -0.01   0.01
    45   1     0.02   0.01  -0.02     0.03   0.01   0.02     0.01   0.01   0.01
    46   1    -0.03  -0.01  -0.01    -0.01   0.01   0.03    -0.01   0.00   0.01
    47   1     0.09  -0.03   0.10    -0.03   0.08  -0.07    -0.01   0.04  -0.03
    48   1     0.09  -0.18   0.17     0.00  -0.00  -0.05     0.00  -0.00  -0.02
    49   1    -0.01   0.32  -0.07     0.03  -0.09   0.00     0.01  -0.04   0.00
    50   1    -0.01   0.08  -0.15    -0.01  -0.04   0.08     0.02   0.09  -0.17
    51   1    -0.02   0.08  -0.09     0.01  -0.04   0.00    -0.02   0.08  -0.01
    52   1    -0.07  -0.00   0.14     0.02  -0.01  -0.08    -0.05   0.02   0.16
    53   1    -0.05  -0.01   0.01     0.01  -0.00   0.01    -0.01   0.01  -0.03
    54   1     0.02   0.02   0.02    -0.01  -0.01   0.01     0.03   0.01  -0.02
    55   1     0.01   0.02   0.01     0.04   0.01   0.01    -0.08  -0.02  -0.02
    56   1     0.04  -0.13   0.01     0.04   0.01  -0.10    -0.09  -0.03   0.22
    57   1     0.03  -0.11   0.01     0.03  -0.01  -0.06    -0.06   0.03   0.13
    58   1     0.02   0.00  -0.11    -0.05   0.14   0.01     0.12  -0.30  -0.02
    59   1    -0.02   0.07  -0.03    -0.05   0.11   0.05     0.10  -0.22  -0.11
    60   1    -0.12   0.10   0.09    -0.10  -0.12   0.22     0.20   0.25  -0.47
    61   1     0.13  -0.26  -0.25     0.00  -0.00  -0.03     0.00  -0.00   0.05
    62   1     0.12  -0.04  -0.15     0.01  -0.04  -0.03    -0.03   0.08   0.07
    63   1    -0.02   0.46   0.10    -0.01   0.05   0.00     0.03  -0.09  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --    934.3990               934.4239               953.8921
 Red. masses --      2.3325                 2.3319                 1.9979
 Frc consts  --      1.1999                 1.1996                 1.0711
 IR Inten    --      3.3497                21.6825                 1.8123
 RamAct Fr= 1--      3.2534                 2.2374                 1.1183
  Dep-P Fr= 1--      0.6633                 0.7335                 0.6162
  Dep-U Fr= 1--      0.7975                 0.8463                 0.7626
 Alpha2 Fr= 1--      0.0050                 0.0006                 0.0027
 Beta2  Fr= 1--      0.4324                 0.3156                 0.1421
 AlphaG Fr= 1--     -0.0842                -0.0113                 0.0536
 Gamma2 Fr= 1--     -2.3080                -2.6509                 0.4183
 Delta2 Fr= 1--     -1.3635                 2.4156                 0.8023
 Raman1 Fr= 1--      13.014                  8.950                  4.473
 ROA1   Fr= 1--    -265.196               -177.189                 65.830
 CID1   Fr= 1--     -20.379                -19.798                 14.717
 Raman2 Fr= 1--       5.189                  3.787                  1.706
 ROA2   Fr= 1--     -44.484                -82.947                  3.621
 CID2   Fr= 1--      -8.572                -21.904                  2.123
 Raman3 Fr= 1--      10.379                  7.574                  3.411
 ROA3   Fr= 1--    -265.196               -177.189                 65.830
 CID3   Fr= 1--     -25.552                -23.395                 19.299
 RC180  Fr= 1--       0.595                  0.693                  0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05     0.07  -0.01  -0.11    -0.00   0.02  -0.02
     2   6     0.04  -0.07  -0.04    -0.09   0.15   0.08    -0.01  -0.02   0.01
     3   6     0.03   0.01  -0.00    -0.06  -0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.01   0.00     0.01  -0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.03     0.03   0.02  -0.06    -0.00  -0.00  -0.00
     6   6     0.02   0.02  -0.04    -0.05  -0.04   0.09     0.00  -0.02  -0.01
     7   6    -0.01   0.02   0.00     0.02  -0.05  -0.01     0.03   0.01   0.06
     8   8    -0.02   0.01  -0.00     0.04  -0.01   0.00    -0.00  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8    -0.01  -0.01  -0.00     0.01   0.03   0.00     0.00   0.00   0.00
    11   6    -0.00   0.03   0.01     0.00  -0.07  -0.01    -0.00  -0.00  -0.00
    12   6    -0.01   0.01   0.00     0.02  -0.02  -0.01     0.00  -0.00  -0.00
    13   9     0.01  -0.00   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    14   6    -0.00  -0.02   0.02     0.01   0.03  -0.05    -0.01   0.01  -0.01
    15   6    -0.01   0.02   0.00     0.03  -0.05  -0.01    -0.03  -0.02   0.03
    16   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.04   0.03  -0.03
    17   8     0.04  -0.01  -0.00     0.02  -0.00  -0.00     0.00   0.00   0.00
    18   6     0.01  -0.03   0.01     0.00  -0.02   0.00    -0.00   0.01  -0.00
    19   6     0.03   0.02   0.06     0.01   0.01   0.03     0.01   0.01  -0.01
    20   6     0.02  -0.05   0.01     0.01  -0.02   0.00    -0.07  -0.02   0.15
    21   6    -0.09   0.15  -0.08    -0.04   0.07  -0.04     0.03   0.05   0.04
    22   6    -0.06  -0.02  -0.00    -0.03  -0.01  -0.00     0.02  -0.00  -0.00
    23   6     0.07  -0.01   0.11     0.03  -0.00   0.05     0.00  -0.05  -0.05
    24   6    -0.05  -0.04  -0.09    -0.02  -0.02  -0.04    -0.01   0.04  -0.02
    25   6     0.01  -0.03   0.01     0.00  -0.01   0.00    -0.09  -0.07  -0.08
    26   6     0.03  -0.05   0.01     0.01  -0.02   0.00     0.08   0.04   0.08
    27   6     0.01   0.03   0.05     0.00   0.02   0.02     0.02  -0.01  -0.02
    28   6     0.00  -0.07   0.01     0.00  -0.03   0.01     0.00   0.01  -0.00
    29   6     0.02  -0.02   0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    30   9    -0.01   0.01   0.02    -0.00   0.00   0.01     0.00  -0.00  -0.00
    31   8     0.01   0.02  -0.00     0.00   0.01  -0.00    -0.01  -0.00   0.00
    32   9    -0.02   0.00  -0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
    34   9    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.00   0.00   0.00
    35   9     0.01  -0.00  -0.01    -0.02   0.00   0.01    -0.00   0.00   0.00
    36   1    -0.06  -0.02  -0.18    -0.03  -0.01  -0.08    -0.03   0.05   0.02
    37   1    -0.06   0.10  -0.15    -0.03   0.05  -0.07    -0.03  -0.03  -0.03
    38   1     0.06   0.08   0.13     0.03   0.04   0.06     0.00  -0.12  -0.05
    39   1     0.05  -0.06   0.07     0.02  -0.03   0.03    -0.04  -0.07  -0.08
    40   1    -0.14   0.20  -0.39    -0.06   0.09  -0.18     0.13   0.15  -0.11
    41   1    -0.02   0.05  -0.04    -0.01   0.02  -0.02    -0.08  -0.05  -0.48
    42   1     0.03   0.07   0.15     0.01   0.03   0.07     0.11   0.07   0.11
    43   1    -0.03   0.02  -0.14    -0.01   0.01  -0.06     0.07   0.07  -0.08
    44   1    -0.06   0.11  -0.02    -0.03   0.05  -0.01     0.48   0.19  -0.13
    45   1     0.24   0.18  -0.05     0.11   0.08  -0.02    -0.10  -0.03  -0.12
    46   1    -0.28  -0.02   0.04    -0.13  -0.01   0.02    -0.15  -0.10  -0.10
    47   1    -0.08   0.15  -0.16    -0.04   0.07  -0.07     0.02  -0.17   0.10
    48   1    -0.03   0.07  -0.15    -0.01   0.03  -0.07    -0.05   0.08   0.03
    49   1     0.06  -0.29   0.04     0.03  -0.13   0.02    -0.07   0.08   0.01
    50   1    -0.01  -0.03   0.07     0.03   0.07  -0.15    -0.04  -0.03   0.04
    51   1     0.01  -0.02  -0.02    -0.02   0.05   0.04     0.03   0.02  -0.19
    52   1     0.01  -0.01  -0.06    -0.03   0.02   0.14    -0.03  -0.03  -0.03
    53   1     0.13   0.01   0.02    -0.28  -0.02  -0.04     0.06   0.04  -0.04
    54   1    -0.11  -0.08  -0.02     0.24   0.18   0.05     0.04   0.01  -0.05
    55   1     0.03  -0.05  -0.01    -0.06   0.11   0.02    -0.19  -0.08  -0.05
    56   1    -0.03  -0.04   0.06     0.06   0.08  -0.13    -0.00   0.05  -0.02
    57   1    -0.02   0.03   0.03     0.05  -0.06  -0.07     0.02   0.03  -0.03
    58   1     0.03  -0.05  -0.07    -0.06   0.10   0.15     0.01   0.01  -0.01
    59   1     0.03   0.01  -0.08    -0.06  -0.02   0.18     0.01  -0.02   0.01
    60   1     0.06  -0.09  -0.18    -0.14   0.20   0.39    -0.05  -0.06  -0.04
    61   1     0.01  -0.03  -0.07    -0.03   0.07   0.15     0.02  -0.03   0.01
    62   1     0.04  -0.07  -0.07    -0.08   0.15   0.16    -0.01   0.07   0.04
    63   1    -0.03   0.13   0.02     0.06  -0.29  -0.04     0.03  -0.03   0.01
                     85                     86                     87
                      A                      A                      A
 Frequencies --    953.9033               961.3740               961.3922
 Red. masses --      1.9971                 1.3964                 1.3965
 Frc consts  --      1.0707                 0.7604                 0.7605
 IR Inten    --      3.2777                 0.5527                 0.3082
 RamAct Fr= 1--      2.8495                 1.9930                 3.9589
  Dep-P Fr= 1--      0.7457                 0.7125                 0.6940
  Dep-U Fr= 1--      0.8543                 0.8321                 0.8194
 Alpha2 Fr= 1--      0.0002                 0.0013                 0.0039
 Beta2  Fr= 1--      0.4057                 0.2764                 0.5406
 AlphaG Fr= 1--      0.0063                 0.0135                 0.0379
 Gamma2 Fr= 1--     -4.0907                 0.1940                 3.6119
 Delta2 Fr= 1--      0.4162                -0.5666                 1.5424
 Raman1 Fr= 1--      11.398                  7.972                 15.836
 ROA1   Fr= 1--    -379.391                  0.496                396.103
 CID1   Fr= 1--     -33.286                  0.062                 25.014
 Raman2 Fr= 1--       4.869                  3.317                  6.488
 ROA2   Fr= 1--    -101.507                  9.190                 74.347
 CID2   Fr= 1--     -20.848                  2.771                 11.460
 Raman3 Fr= 1--       9.738                  6.634                 12.975
 ROA3   Fr= 1--    -379.391                  0.496                396.103
 CID3   Fr= 1--     -38.960                  0.075                 30.527
 RC180  Fr= 1--       0.709                  0.664                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05    -0.00   0.00  -0.00     0.00  -0.02   0.00
     2   6    -0.03  -0.05   0.04    -0.00  -0.00   0.00     0.01   0.00  -0.01
     3   6    -0.02   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.01  -0.04  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.00
     7   6     0.07   0.02   0.15     0.02   0.01  -0.01    -0.07  -0.03   0.04
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6    -0.02   0.01  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   6    -0.08  -0.04   0.08    -0.01  -0.00  -0.02     0.07   0.02   0.08
    16   6     0.09   0.07  -0.08     0.01   0.00   0.02    -0.07  -0.02  -0.09
    17   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.03   0.01  -0.06     0.07   0.03   0.04     0.02   0.01   0.01
    21   6    -0.01  -0.02  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.02   0.02    -0.00   0.01   0.00    -0.00   0.00   0.00
    24   6     0.00  -0.02   0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    25   6     0.04   0.03   0.03     0.07   0.02  -0.09     0.01   0.00  -0.02
    26   6    -0.03  -0.02  -0.03    -0.07  -0.02   0.08    -0.02  -0.00   0.02
    27   6    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.01  -0.02  -0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    37   1     0.01   0.01   0.01     0.01  -0.04   0.00     0.00  -0.01   0.00
    38   1    -0.00   0.05   0.02    -0.00   0.00   0.02    -0.00   0.00   0.00
    39   1     0.02   0.03   0.03    -0.03   0.04   0.01    -0.01   0.01   0.00
    40   1    -0.05  -0.06   0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   1     0.03   0.02   0.19     0.02   0.06   0.46     0.01   0.01   0.10
    42   1    -0.04  -0.03  -0.04    -0.26  -0.10  -0.27    -0.06  -0.02  -0.06
    43   1    -0.03  -0.03   0.03    -0.23  -0.17  -0.23    -0.05  -0.04  -0.05
    44   1    -0.19  -0.08   0.05     0.34   0.14  -0.14     0.07   0.03  -0.03
    45   1     0.04   0.01   0.05    -0.29  -0.10  -0.14    -0.06  -0.02  -0.03
    46   1     0.06   0.04   0.04    -0.31  -0.19  -0.13    -0.07  -0.04  -0.03
    47   1    -0.01   0.07  -0.04    -0.01   0.02  -0.02    -0.00   0.00  -0.00
    48   1     0.02  -0.03  -0.01    -0.00   0.01  -0.02    -0.00   0.00  -0.00
    49   1     0.03  -0.03  -0.01     0.01  -0.03   0.00     0.00  -0.01   0.00
    50   1    -0.11  -0.07   0.11    -0.06  -0.02   0.06     0.26   0.10  -0.26
    51   1     0.08   0.05  -0.48     0.01   0.01  -0.10    -0.03  -0.06   0.46
    52   1    -0.06  -0.07  -0.09    -0.05  -0.04   0.05     0.24   0.17  -0.23
    53   1     0.15   0.10  -0.10    -0.07  -0.04   0.03     0.31   0.19  -0.13
    54   1     0.10   0.03  -0.12    -0.06  -0.02   0.03     0.29   0.10  -0.14
    55   1    -0.48  -0.19  -0.13     0.07   0.03   0.03    -0.34  -0.13  -0.14
    56   1    -0.00   0.12  -0.05    -0.00   0.00  -0.00     0.00  -0.00   0.02
    57   1     0.04   0.07  -0.08    -0.01   0.01  -0.00     0.03  -0.04   0.01
    58   1     0.03   0.03  -0.02     0.00  -0.01  -0.00    -0.01   0.04   0.00
    59   1     0.03  -0.05   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    60   1    -0.13  -0.15  -0.11    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   1     0.05  -0.08   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.02
    62   1    -0.02   0.17   0.10    -0.00   0.00   0.00     0.01  -0.02  -0.02
    63   1     0.07  -0.08   0.01     0.00  -0.01  -0.00    -0.01   0.03   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --    978.7393               978.7944              1022.1801
 Red. masses --      2.6010                 2.6022                 1.3730
 Frc consts  --      1.4680                 1.4688                 0.8453
 IR Inten    --      2.4532                 0.6822                 0.3864
 RamAct Fr= 1--      5.8376                 9.1496                 1.8297
  Dep-P Fr= 1--      0.7412                 0.7302                 0.3570
  Dep-U Fr= 1--      0.8513                 0.8440                 0.5261
 Alpha2 Fr= 1--      0.0009                 0.0031                 0.0157
 Beta2  Fr= 1--      0.8283                 1.2871                 0.1604
 AlphaG Fr= 1--      0.0013                 0.0060                 0.1811
 Gamma2 Fr= 1--     -5.3760               -19.2748                 1.2914
 Delta2 Fr= 1--     -0.9703                -1.4038                 0.8635
 Raman1 Fr= 1--      23.350                 36.598                  7.319
 ROA1   Fr= 1--    -547.143              -1895.300                151.605
 CID1   Fr= 1--     -23.432                -51.787                 20.715
 Raman2 Fr= 1--       9.939                 15.445                  1.925
 ROA2   Fr= 1--    -121.262               -451.364                 24.086
 CID2   Fr= 1--     -12.200                -29.223                 12.510
 Raman3 Fr= 1--      19.879                 30.891                  3.851
 ROA3   Fr= 1--    -547.143              -1895.300                151.605
 CID3   Fr= 1--     -27.524                -61.355                 39.371
 RC180  Fr= 1--       0.703                  0.688                  0.052
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.08  -0.01    -0.02   0.22  -0.03     0.00  -0.00   0.00
     2   6    -0.01  -0.03   0.04    -0.03  -0.08   0.12     0.00   0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.02   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.01  -0.01     0.01   0.03  -0.02    -0.00  -0.00  -0.00
     5   6    -0.00  -0.01   0.01    -0.00  -0.04   0.03     0.00  -0.00   0.00
     6   6     0.02  -0.07  -0.02     0.04  -0.19  -0.07    -0.00   0.00   0.00
     7   6    -0.02  -0.01  -0.01    -0.05  -0.02  -0.03     0.00   0.00  -0.00
     8   8     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.01   0.01     0.02   0.02   0.04     0.00  -0.00   0.00
    15   6     0.02   0.00  -0.01     0.05   0.01  -0.03     0.00  -0.01  -0.00
    16   6    -0.02   0.01  -0.00    -0.04   0.02  -0.00    -0.00   0.01   0.00
    17   8     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.01   0.03   0.02    -0.01  -0.01  -0.01    -0.01  -0.01   0.02
    19   6    -0.00  -0.04  -0.03     0.00   0.01   0.01     0.00  -0.01  -0.00
    20   6    -0.05  -0.02   0.03     0.02   0.01  -0.01     0.01   0.01   0.00
    21   6    -0.03  -0.08  -0.12     0.01   0.03   0.04     0.00   0.04   0.06
    22   6    -0.02   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.02
    23   6    -0.02   0.22   0.03     0.01  -0.08  -0.01     0.04  -0.03  -0.03
    24   6     0.04  -0.19   0.07    -0.02   0.07  -0.02    -0.04   0.01  -0.01
    25   6    -0.04   0.02   0.00     0.02  -0.01  -0.00    -0.04   0.10  -0.02
    26   6     0.05   0.01   0.03    -0.02  -0.00  -0.01     0.03  -0.09   0.01
    27   6     0.02   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.00  -0.02
    28   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.08  -0.20  -0.12    -0.03   0.07   0.04    -0.04   0.01  -0.13
    37   1     0.21  -0.15   0.22    -0.08   0.05  -0.08     0.05   0.03   0.08
    38   1    -0.06   0.33   0.27     0.02  -0.12  -0.10     0.03  -0.12   0.05
    39   1    -0.16   0.32   0.03     0.06  -0.12  -0.01    -0.07  -0.10  -0.13
    40   1    -0.06  -0.08  -0.15     0.02   0.03   0.05     0.01   0.01   0.20
    41   1     0.01  -0.10  -0.14    -0.00   0.04   0.05     0.08  -0.19   0.02
    42   1     0.05  -0.06  -0.09    -0.02   0.02   0.03    -0.04  -0.20  -0.41
    43   1     0.10   0.03   0.22    -0.04  -0.01  -0.08     0.12  -0.02   0.43
    44   1     0.18   0.11  -0.05    -0.06  -0.04   0.02    -0.12   0.16  -0.02
    45   1     0.04   0.04  -0.05    -0.02  -0.02   0.02     0.34   0.24  -0.07
    46   1    -0.10  -0.03  -0.03     0.03   0.01   0.01    -0.39  -0.03   0.06
    47   1    -0.00  -0.14   0.07     0.00   0.05  -0.02     0.03  -0.06   0.06
    48   1    -0.07   0.15  -0.02     0.02  -0.05   0.01    -0.01   0.01   0.04
    49   1    -0.09   0.08  -0.00     0.03  -0.03   0.00    -0.03   0.09  -0.01
    50   1     0.02  -0.02   0.03     0.05  -0.06   0.09    -0.00  -0.02   0.03
    51   1     0.00  -0.04   0.05     0.01  -0.10   0.14     0.01  -0.01  -0.00
    52   1     0.04   0.01  -0.08     0.10   0.03  -0.22     0.01  -0.00  -0.03
    53   1    -0.03  -0.01   0.01    -0.10  -0.03   0.03    -0.03  -0.00  -0.00
    54   1     0.01   0.01   0.02     0.04   0.04   0.05     0.03   0.02   0.01
    55   1     0.06   0.04   0.02     0.18   0.10   0.05    -0.01   0.01   0.00
    56   1    -0.02   0.12  -0.10    -0.06   0.33  -0.27     0.00  -0.01  -0.00
    57   1    -0.06   0.12  -0.01    -0.16   0.32  -0.04    -0.01  -0.01   0.01
    58   1     0.08  -0.05  -0.08     0.21  -0.15  -0.22     0.00   0.00  -0.01
    59   1     0.03  -0.07   0.04     0.08  -0.20   0.12    -0.00   0.00   0.01
    60   1    -0.02  -0.03   0.05    -0.06  -0.08   0.15     0.00   0.00  -0.02
    61   1    -0.03   0.05   0.01    -0.07   0.15   0.02    -0.00   0.00  -0.00
    62   1    -0.00  -0.05  -0.02    -0.00  -0.14  -0.07     0.00  -0.00  -0.00
    63   1    -0.03   0.03   0.00    -0.09   0.08   0.00    -0.00   0.01   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1022.2045              1030.3259              1030.4282
 Red. masses --      1.3729                 1.5938                 1.5916
 Frc consts  --      0.8452                 0.9969                 0.9957
 IR Inten    --      0.4102                 2.5147                12.2736
 RamAct Fr= 1--      2.0689                 3.2218                 0.5847
  Dep-P Fr= 1--      0.3010                 0.7500                 0.7492
  Dep-U Fr= 1--      0.4628                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0212                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1596                 0.4602                 0.0835
 AlphaG Fr= 1--      0.2437                -0.0043                 0.0022
 Gamma2 Fr= 1--      2.0507                -5.5201                -2.1074
 Delta2 Fr= 1--      1.1759                 0.9057                -1.3160
 Raman1 Fr= 1--       8.276                 12.887                  2.339
 ROA1   Fr= 1--     234.498               -500.948               -244.421
 CID1   Fr= 1--      28.335                -38.872               -104.514
 Raman2 Fr= 1--       1.915                  5.523                  1.002
 ROA2   Fr= 1--      39.811               -139.728                -40.050
 CID2   Fr= 1--      20.790                -25.300                -39.984
 Raman3 Fr= 1--       3.830                 11.046                  2.003
 ROA3   Fr= 1--     234.498               -500.948               -244.421
 CID3   Fr= 1--      61.231                -45.352               -122.010
 RC180  Fr= 1--      -0.074                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.03  -0.03     0.05  -0.00   0.03     0.08  -0.00   0.05
     2   6    -0.00  -0.04   0.06    -0.01   0.01  -0.02    -0.02   0.02  -0.04
     3   6    -0.01   0.00  -0.02    -0.03  -0.00   0.02    -0.05  -0.01   0.03
     4   6     0.01   0.01   0.02     0.01   0.01  -0.01     0.01   0.02  -0.02
     5   6    -0.00   0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01
     6   6     0.04  -0.01  -0.01    -0.05  -0.00  -0.02    -0.09  -0.00  -0.03
     7   6    -0.01  -0.01   0.00     0.01  -0.01   0.00     0.01  -0.01   0.01
     8   8     0.00  -0.00  -0.00     0.01  -0.01   0.00     0.02  -0.01   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.02   0.00
    11   6     0.00  -0.01   0.00     0.00  -0.03  -0.01     0.00  -0.05  -0.01
    12   6     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.01  -0.02  -0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.01   0.01  -0.01
    14   6    -0.00   0.00  -0.02     0.04   0.01   0.01     0.06   0.02   0.01
    15   6    -0.03   0.09   0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    16   6     0.04  -0.10  -0.02     0.01  -0.01  -0.00     0.02  -0.01  -0.00
    17   8    -0.00   0.00  -0.00    -0.02   0.01   0.00     0.01  -0.01  -0.00
    18   6    -0.00  -0.00   0.00    -0.01  -0.02  -0.02     0.01   0.01   0.01
    19   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.01   0.00
    20   6     0.00   0.00   0.00    -0.01   0.01   0.01     0.01  -0.01  -0.00
    21   6     0.00   0.00   0.00     0.02  -0.02  -0.04    -0.01   0.01   0.02
    22   6     0.00  -0.00  -0.00     0.05   0.01   0.03    -0.03  -0.00  -0.02
    23   6     0.00  -0.00  -0.00    -0.08   0.00   0.05     0.05  -0.00  -0.03
    24   6    -0.00   0.00  -0.00     0.09   0.00  -0.03    -0.05  -0.00   0.02
    25   6    -0.00   0.01  -0.00    -0.02   0.01  -0.00     0.01  -0.01   0.00
    26   6     0.00  -0.01   0.00     0.02  -0.04   0.02    -0.01   0.03  -0.01
    27   6     0.00  -0.00  -0.00    -0.06  -0.02   0.01     0.04   0.01  -0.01
    28   6     0.00   0.00   0.00    -0.01   0.05  -0.01     0.00  -0.03   0.01
    29   6    -0.00   0.00  -0.00    -0.01   0.03  -0.00     0.01  -0.01   0.00
    30   9     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.01
    31   8    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.00
    33   9    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    34   9     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.01   0.00
    35   9    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.01
    36   1    -0.00   0.00  -0.01     0.09  -0.03   0.35    -0.05   0.02  -0.20
    37   1     0.00   0.00   0.01    -0.13  -0.09  -0.23     0.07   0.06   0.13
    38   1     0.00  -0.01   0.00    -0.06   0.13  -0.22     0.03  -0.08   0.13
    39   1    -0.00  -0.01  -0.01     0.18   0.08   0.23    -0.10  -0.05  -0.14
    40   1     0.00   0.00   0.01     0.13   0.08  -0.17    -0.07  -0.05   0.10
    41   1     0.01  -0.01   0.00     0.00  -0.03  -0.04    -0.00   0.02   0.03
    42   1    -0.00  -0.02  -0.03     0.01  -0.02  -0.05    -0.01   0.01   0.03
    43   1     0.01  -0.00   0.03     0.03   0.01   0.07    -0.02  -0.01  -0.04
    44   1    -0.01   0.01  -0.00    -0.01   0.11  -0.03     0.00  -0.06   0.02
    45   1     0.03   0.02  -0.01     0.15   0.12  -0.06    -0.09  -0.07   0.04
    46   1    -0.03  -0.00   0.00    -0.22  -0.03   0.03     0.13   0.02  -0.02
    47   1     0.00  -0.00   0.00     0.04   0.22  -0.06    -0.02  -0.13   0.03
    48   1    -0.00   0.00   0.00     0.13  -0.27   0.09    -0.07   0.16  -0.05
    49   1    -0.00   0.01  -0.00     0.11   0.07  -0.06    -0.06  -0.04   0.04
    50   1     0.04   0.20  -0.41    -0.01   0.01  -0.03    -0.01   0.02  -0.05
    51   1    -0.08   0.19   0.03    -0.00   0.02  -0.03    -0.00   0.03  -0.04
    52   1    -0.13   0.02   0.43    -0.02  -0.01   0.04    -0.03  -0.01   0.07
    53   1     0.39   0.03   0.06     0.13   0.02   0.02     0.21   0.03   0.03
    54   1    -0.34  -0.24  -0.07    -0.09  -0.07  -0.04    -0.15  -0.12  -0.06
    55   1     0.12  -0.16  -0.02     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    56   1    -0.03   0.12   0.05     0.03  -0.08  -0.13     0.06  -0.13  -0.22
    57   1     0.07   0.10  -0.13    -0.10  -0.05   0.14    -0.18  -0.08   0.23
    58   1    -0.05  -0.03   0.08     0.07   0.06  -0.13     0.13   0.09  -0.23
    59   1     0.04  -0.01  -0.13    -0.05   0.02   0.20    -0.09   0.03   0.35
    60   1    -0.02  -0.01   0.20    -0.07  -0.05  -0.10    -0.12  -0.08  -0.17
    61   1     0.01  -0.01   0.04    -0.07   0.16   0.05    -0.13   0.28   0.09
    62   1    -0.03   0.06   0.06    -0.02  -0.13  -0.03    -0.04  -0.22  -0.06
    63   1     0.03  -0.09  -0.01    -0.06  -0.04  -0.04    -0.11  -0.07  -0.06
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1085.6496              1086.2244              1110.3454
 Red. masses --      3.0674                 2.9269                 1.5604
 Frc consts  --      2.1301                 2.0347                 1.1334
 IR Inten    --    104.5155                 0.5052                 0.5985
 RamAct Fr= 1--      0.0972                 3.6080                 7.5495
  Dep-P Fr= 1--      0.7474                 0.4542                 0.7364
  Dep-U Fr= 1--      0.8555                 0.6246                 0.8482
 Alpha2 Fr= 1--      0.0000                 0.0217                 0.0018
 Beta2  Fr= 1--      0.0139                 0.3756                 1.0672
 AlphaG Fr= 1--     -0.0000                -0.0973                -0.1424
 Gamma2 Fr= 1--     -0.5605                -5.7663                -0.0689
 Delta2 Fr= 1--     -0.5321                 1.0946                 2.6965
 Raman1 Fr= 1--       0.389                 14.432                 30.198
 ROA1   Fr= 1--     -70.829               -518.533                 79.678
 CID1   Fr= 1--    -182.187                -35.929                  2.638
 Raman2 Fr= 1--       0.166                  4.507                 12.807
 ROA2   Fr= 1--      -9.194               -147.148                -23.225
 CID2   Fr= 1--     -55.290                -32.645                 -1.813
 Raman3 Fr= 1--       0.333                  9.015                 25.614
 ROA3   Fr= 1--     -70.829               -518.533                 79.678
 CID3   Fr= 1--    -212.968                -57.519                  3.111
 RC180  Fr= 1--       0.711                  0.249                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.03     0.02  -0.00   0.03    -0.03  -0.03  -0.01
     2   6     0.05  -0.02  -0.03     0.05  -0.02  -0.03     0.01  -0.03  -0.02
     3   6    -0.10   0.01   0.01    -0.10   0.01   0.01     0.02  -0.02  -0.01
     4   6     0.05   0.13   0.02     0.05   0.13   0.02     0.02   0.08   0.01
     5   6     0.03   0.06   0.01     0.03   0.06   0.01    -0.06   0.06   0.01
     6   6    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.01   0.00   0.00
     7   6     0.01  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.03  -0.01
     8   8    -0.01  -0.03  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.04   0.00    -0.00   0.04   0.00    -0.02   0.01   0.00
    11   6     0.01  -0.13  -0.02     0.01  -0.13  -0.02     0.01  -0.04  -0.00
    12   6     0.06  -0.09   0.00     0.06  -0.09   0.00     0.02  -0.03   0.00
    13   9    -0.02   0.02  -0.03    -0.02   0.02  -0.03    -0.01   0.01  -0.01
    14   6    -0.07  -0.06  -0.00    -0.07  -0.06  -0.00     0.04  -0.04   0.01
    15   6    -0.01   0.01  -0.01    -0.01   0.01  -0.01     0.01  -0.03   0.03
    16   6    -0.02   0.01   0.01    -0.02   0.01   0.01     0.03  -0.01   0.01
    17   8    -0.01  -0.04   0.01     0.01   0.03  -0.01     0.01   0.01  -0.00
    18   6     0.05   0.14  -0.02    -0.04  -0.13   0.02    -0.02  -0.07   0.01
    19   6     0.03   0.06  -0.01    -0.03  -0.06   0.01     0.05  -0.05   0.01
    20   6     0.01  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.03  -0.01
    21   6     0.05  -0.02   0.03    -0.05   0.02  -0.02    -0.01   0.02  -0.01
    22   6    -0.10   0.01  -0.01     0.10  -0.01   0.01    -0.02   0.02  -0.01
    23   6     0.02  -0.00  -0.03    -0.02   0.00   0.03     0.02   0.02  -0.01
    24   6    -0.01  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.00   0.00
    25   6    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01   0.01
    26   6    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.01   0.03   0.02
    27   6    -0.07  -0.06   0.00     0.07   0.05  -0.00    -0.03   0.04   0.01
    28   6     0.01  -0.14   0.02    -0.01   0.13  -0.02    -0.01   0.03  -0.00
    29   6     0.06  -0.10  -0.00    -0.06   0.09   0.00    -0.02   0.02   0.00
    30   9    -0.02   0.02   0.03     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    31   8    -0.00   0.04  -0.00     0.00  -0.03   0.00     0.01  -0.01   0.00
    32   9    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.00   0.00
    33   9     0.02   0.04  -0.01    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    34   9     0.02   0.04   0.01     0.02   0.04   0.01     0.00   0.01   0.00
    35   9    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.01   0.00   0.01
    36   1     0.13  -0.14   0.13    -0.13   0.14  -0.13     0.08  -0.08   0.09
    37   1    -0.04   0.07  -0.06     0.04  -0.07   0.07    -0.11   0.14  -0.16
    38   1    -0.01   0.21   0.18     0.01  -0.21  -0.18     0.00   0.10   0.12
    39   1    -0.01  -0.10  -0.11     0.01   0.10   0.11    -0.00  -0.21  -0.17
    40   1     0.11   0.01   0.03    -0.10  -0.01  -0.03    -0.17  -0.14   0.19
    41   1     0.00  -0.04  -0.05    -0.00   0.04   0.05     0.00  -0.04  -0.06
    42   1     0.02  -0.02  -0.04    -0.02   0.02   0.04     0.04  -0.01  -0.01
    43   1     0.03   0.01   0.06    -0.03  -0.01  -0.06     0.05   0.02   0.10
    44   1     0.04  -0.00  -0.01    -0.04   0.00   0.01     0.12  -0.00  -0.02
    45   1    -0.04  -0.02   0.00     0.04   0.02  -0.00    -0.13  -0.07  -0.01
    46   1     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.03  -0.03  -0.05
    47   1     0.09   0.14   0.02    -0.08  -0.14  -0.02    -0.01   0.17  -0.08
    48   1     0.15  -0.35   0.17    -0.14   0.33  -0.16     0.03  -0.05  -0.03
    49   1     0.10   0.14  -0.08    -0.09  -0.14   0.07     0.06   0.00  -0.03
    50   1     0.02  -0.02   0.04     0.02  -0.02   0.04    -0.04   0.02  -0.02
    51   1     0.00  -0.04   0.05     0.00  -0.04   0.05    -0.00   0.05  -0.08
    52   1     0.03   0.01  -0.06     0.03   0.01  -0.06    -0.06  -0.03   0.12
    53   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.04   0.04  -0.06
    54   1    -0.04  -0.02  -0.00    -0.04  -0.02  -0.00     0.16   0.09  -0.01
    55   1     0.03  -0.00   0.01     0.04  -0.00   0.01    -0.15   0.00  -0.03
    56   1    -0.01   0.20  -0.17    -0.01   0.22  -0.18    -0.01  -0.13   0.16
    57   1    -0.01  -0.10   0.10    -0.01  -0.11   0.11     0.01   0.27  -0.22
    58   1    -0.03   0.07   0.06    -0.04   0.07   0.07     0.14  -0.17  -0.20
    59   1     0.12  -0.14  -0.12     0.13  -0.15  -0.13    -0.10   0.10   0.11
    60   1     0.11   0.01  -0.03     0.11   0.01  -0.03     0.22   0.17   0.23
    61   1     0.14  -0.34  -0.16     0.14  -0.35  -0.17    -0.04   0.06  -0.04
    62   1     0.08   0.14  -0.02     0.08   0.14  -0.02     0.02  -0.21  -0.10
    63   1     0.09   0.13   0.07     0.10   0.14   0.08    -0.08  -0.00  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1110.3815              1121.8957              1122.6327
 Red. masses --      1.5376                 6.1422                 6.2567
 Frc consts  --      1.1169                 4.5549                 4.6459
 IR Inten    --     47.9716                 5.3856               371.6727
 RamAct Fr= 1--      2.6968                 4.6019                 5.8457
  Dep-P Fr= 1--      0.7500                 0.7498                 0.3043
  Dep-U Fr= 1--      0.8571                 0.8570                 0.4666
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0592
 Beta2  Fr= 1--      0.3853                 0.6573                 0.4546
 AlphaG Fr= 1--     -0.0000                 0.0005                 1.5361
 Gamma2 Fr= 1--    -19.2826                 9.7162                -5.2415
 Delta2 Fr= 1--     -3.1720                 0.0007                -3.6095
 Raman1 Fr= 1--      10.787                 18.408                 23.383
 ROA1   Fr= 1--   -1952.634                932.782               -618.690
 CID1   Fr= 1--    -181.015                 50.673                -26.459
 Raman2 Fr= 1--       4.623                  7.888                  5.455
 ROA2   Fr= 1--    -437.406                233.184                -96.920
 CID2   Fr= 1--     -94.614                 29.562                -17.768
 Raman3 Fr= 1--       9.246                 15.776                 10.909
 ROA3   Fr= 1--   -1952.634                932.782               -618.690
 CID3   Fr= 1--    -211.184                 59.127                -56.712
 RC180  Fr= 1--       0.714                  0.714                 -0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.01    -0.01   0.01  -0.04    -0.01   0.01  -0.03
     2   6     0.00  -0.02  -0.01    -0.01  -0.01   0.05    -0.01  -0.01   0.04
     3   6     0.02  -0.02  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.01
     4   6     0.02   0.06   0.00     0.01   0.04  -0.00     0.01   0.05  -0.00
     5   6    -0.05   0.05   0.01    -0.02  -0.03   0.07    -0.02  -0.03   0.07
     6   6    -0.01   0.00   0.00     0.03   0.00  -0.03     0.03   0.00  -0.03
     7   6    -0.00   0.03  -0.01    -0.02  -0.03   0.02    -0.02  -0.03   0.02
     8   8    -0.01  -0.01  -0.00    -0.01  -0.00   0.00    -0.01  -0.01   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.01   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    11   6     0.01  -0.03  -0.00     0.01   0.00  -0.06     0.01  -0.00  -0.06
    12   6     0.02  -0.02   0.00    -0.03  -0.08   0.40    -0.03  -0.07   0.39
    13   9    -0.01   0.01  -0.01    -0.05   0.04  -0.11    -0.05   0.04  -0.11
    14   6     0.03  -0.03   0.01     0.01   0.02  -0.05     0.01   0.02  -0.05
    15   6     0.01  -0.03   0.02     0.01   0.01  -0.02     0.01   0.01  -0.02
    16   6     0.02  -0.01   0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    17   8    -0.01  -0.01   0.00    -0.01  -0.00  -0.00     0.01   0.01   0.00
    18   6     0.02   0.08  -0.01     0.01   0.04   0.00    -0.01  -0.05  -0.00
    19   6    -0.06   0.06  -0.01    -0.02  -0.03  -0.06     0.02   0.03   0.07
    20   6    -0.01   0.03   0.01    -0.02  -0.03  -0.02     0.02   0.03   0.02
    21   6     0.01  -0.02   0.02    -0.01  -0.01  -0.04     0.01   0.01   0.04
    22   6     0.02  -0.02   0.01     0.02  -0.01  -0.01    -0.01   0.01   0.01
    23   6    -0.03  -0.03   0.01    -0.01   0.01   0.03     0.01  -0.01  -0.04
    24   6    -0.01   0.00  -0.00     0.03   0.00   0.03    -0.03  -0.00  -0.03
    25   6     0.03  -0.01  -0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    26   6     0.01  -0.03  -0.03     0.01   0.01   0.02    -0.01  -0.01  -0.02
    27   6     0.04  -0.04  -0.01     0.01   0.02   0.05    -0.01  -0.02  -0.05
    28   6     0.01  -0.04   0.00     0.01   0.00   0.06    -0.01   0.00  -0.06
    29   6     0.02  -0.03  -0.01    -0.03  -0.07  -0.39     0.03   0.08   0.41
    30   9    -0.01   0.01   0.01    -0.05   0.04   0.11     0.05  -0.04  -0.11
    31   8    -0.02   0.01  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    32   9    -0.01   0.00  -0.00     0.06  -0.00   0.09    -0.07   0.00  -0.09
    33   9     0.00   0.01  -0.00    -0.00   0.00   0.03     0.00  -0.00  -0.03
    34   9     0.00   0.01   0.00    -0.00   0.00  -0.03    -0.00   0.00  -0.03
    35   9    -0.01   0.00   0.00     0.07  -0.00  -0.09     0.06  -0.00  -0.09
    36   1    -0.10   0.10  -0.12    -0.12   0.15  -0.10     0.12  -0.16   0.10
    37   1     0.14  -0.17   0.20    -0.05   0.01  -0.05     0.05  -0.01   0.05
    38   1    -0.00  -0.14  -0.16     0.01  -0.12  -0.11    -0.01   0.13   0.12
    39   1     0.01   0.27   0.22     0.05  -0.11  -0.02    -0.05   0.11   0.01
    40   1     0.21   0.17  -0.23     0.14   0.03   0.17    -0.16  -0.04  -0.17
    41   1    -0.00   0.05   0.08     0.01  -0.02  -0.01    -0.01   0.02   0.01
    42   1    -0.04   0.02   0.02     0.02  -0.01  -0.01    -0.02   0.01   0.02
    43   1    -0.06  -0.03  -0.12     0.04   0.02   0.09    -0.04  -0.02  -0.09
    44   1    -0.15   0.00   0.03     0.10   0.03  -0.02    -0.10  -0.03   0.02
    45   1     0.16   0.09   0.01    -0.05  -0.02  -0.03     0.05   0.02   0.03
    46   1    -0.04   0.04   0.06    -0.01  -0.03  -0.04     0.01   0.03   0.04
    47   1     0.02  -0.21   0.10    -0.09   0.09  -0.12     0.09  -0.09   0.12
    48   1    -0.04   0.07   0.03    -0.01   0.03  -0.13     0.01  -0.03   0.14
    49   1    -0.08  -0.01   0.04     0.05  -0.22   0.04    -0.06   0.23  -0.05
    50   1    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.02  -0.01   0.01
    51   1    -0.00   0.04  -0.06     0.01  -0.03   0.01     0.01  -0.02   0.01
    52   1    -0.05  -0.02   0.09     0.04   0.02  -0.09     0.04   0.02  -0.08
    53   1    -0.04   0.03  -0.05    -0.01  -0.03   0.04    -0.01  -0.03   0.03
    54   1     0.13   0.07  -0.01    -0.05  -0.02   0.03    -0.05  -0.02   0.03
    55   1    -0.12   0.00  -0.02     0.11   0.03   0.02     0.10   0.02   0.02
    56   1    -0.00  -0.11   0.13     0.02  -0.13   0.12     0.01  -0.12   0.11
    57   1     0.01   0.21  -0.18     0.05  -0.12   0.02     0.05  -0.11   0.01
    58   1     0.11  -0.14  -0.16    -0.05   0.01   0.05    -0.04   0.01   0.05
    59   1    -0.08   0.08   0.10    -0.12   0.15   0.10    -0.12   0.15   0.10
    60   1     0.17   0.13   0.18     0.14   0.03  -0.18     0.15   0.03  -0.16
    61   1    -0.03   0.06  -0.03    -0.01   0.03   0.14    -0.01   0.03   0.13
    62   1     0.01  -0.17  -0.08    -0.09   0.10   0.13    -0.08   0.09   0.12
    63   1    -0.06  -0.01  -0.03     0.06  -0.23  -0.05     0.05  -0.22  -0.04
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1133.7756              1133.9760              1157.3013
 Red. masses --      2.3007                 2.3137                 2.2787
 Frc consts  --      1.7425                 1.7529                 1.7981
 IR Inten    --     55.6396                31.5157                46.3868
 RamAct Fr= 1--      2.7237                10.6319                 0.0731
  Dep-P Fr= 1--      0.7440                 0.6486                 0.7402
  Dep-U Fr= 1--      0.8532                 0.7869                 0.8507
 Alpha2 Fr= 1--      0.0003                 0.0194                 0.0000
 Beta2  Fr= 1--      0.3873                 1.3943                 0.0104
 AlphaG Fr= 1--     -0.0175                -1.2670                -0.0003
 Gamma2 Fr= 1--     14.6560               -38.2540                 2.9744
 Delta2 Fr= 1--      7.5704                 0.5017                 0.1413
 Raman1 Fr= 1--      10.895                 42.528                  0.292
 ROA1   Fr= 1--    1649.235              -3656.328                290.063
 CID1   Fr= 1--     151.380                -85.976                992.196
 Raman2 Fr= 1--       4.648                 16.732                  0.124
 ROA2   Fr= 1--     291.181               -922.109                 70.255
 CID2   Fr= 1--      62.650                -55.110                564.956
 Raman3 Fr= 1--       9.295                 33.464                  0.249
 ROA3   Fr= 1--    1649.235              -3656.328                290.063
 CID3   Fr= 1--     177.424               -109.260               1166.279
 RC180  Fr= 1--       0.706                  0.574                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01   0.01  -0.02    -0.05  -0.02  -0.06
     2   6    -0.00   0.01  -0.01     0.00  -0.02   0.02     0.04   0.05   0.08
     3   6    -0.02   0.02   0.00     0.02  -0.02  -0.01    -0.05   0.04  -0.02
     4   6    -0.02  -0.06   0.01     0.02   0.08  -0.02     0.01   0.01   0.02
     5   6     0.02   0.03  -0.11    -0.03  -0.03   0.14    -0.01  -0.06  -0.08
     6   6    -0.02  -0.01   0.05     0.03   0.01  -0.06     0.03  -0.00   0.04
     7   6     0.03   0.03  -0.03    -0.04  -0.03   0.04     0.06  -0.07  -0.01
     8   8     0.01   0.01  -0.00    -0.02  -0.01   0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.01   0.02  -0.01     0.01  -0.03   0.01    -0.00  -0.01   0.00
    12   6    -0.01   0.00   0.09     0.01   0.00  -0.12     0.06  -0.02  -0.02
    13   9    -0.01   0.01  -0.02     0.01  -0.01   0.03    -0.01   0.00  -0.00
    14   6    -0.01  -0.02   0.07     0.01   0.02  -0.10     0.00   0.03   0.04
    15   6    -0.02  -0.01   0.02     0.02   0.01  -0.03    -0.03   0.03   0.00
    16   6     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.03   0.03   0.01
    17   8     0.02   0.01   0.00     0.01   0.01   0.00     0.01  -0.01   0.00
    18   6    -0.02  -0.08  -0.02    -0.02  -0.07  -0.01     0.01   0.01  -0.02
    19   6     0.03   0.03   0.14     0.02   0.02   0.11    -0.01  -0.06   0.09
    20   6     0.03   0.03   0.04     0.03   0.03   0.03     0.07  -0.07   0.02
    21   6    -0.00   0.02   0.02    -0.00   0.02   0.01     0.04   0.05  -0.09
    22   6    -0.02   0.02  -0.01    -0.01   0.02  -0.00    -0.05   0.04   0.02
    23   6     0.02  -0.01  -0.02     0.01  -0.00  -0.01    -0.05  -0.02   0.06
    24   6    -0.03  -0.01  -0.06    -0.02  -0.01  -0.05     0.03  -0.00  -0.04
    25   6     0.01  -0.02  -0.03     0.01  -0.02  -0.02    -0.03   0.03  -0.01
    26   6    -0.02  -0.01  -0.03    -0.02  -0.01  -0.02    -0.03   0.03  -0.00
    27   6    -0.01  -0.02  -0.09    -0.01  -0.02  -0.08     0.00   0.03  -0.05
    28   6    -0.01   0.03   0.02    -0.01   0.03   0.01    -0.00  -0.01  -0.00
    29   6    -0.01  -0.00  -0.12    -0.01  -0.00  -0.09     0.06  -0.02   0.02
    30   9    -0.01   0.01   0.03    -0.01   0.01   0.02    -0.01   0.00   0.00
    31   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.01  -0.00
    32   9     0.02  -0.00   0.03     0.02  -0.00   0.02    -0.02   0.00  -0.02
    33   9    -0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.01  -0.00  -0.00
    34   9    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.01  -0.00   0.00
    35   9     0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.02   0.00   0.02
    36   1     0.12  -0.17   0.13     0.09  -0.13   0.10    -0.19   0.22  -0.13
    37   1     0.06  -0.05   0.03     0.05  -0.04   0.03     0.01  -0.15  -0.02
    38   1    -0.02   0.19   0.13    -0.01   0.15   0.10    -0.01  -0.09  -0.24
    39   1    -0.04   0.10   0.03    -0.03   0.09   0.03     0.13  -0.03   0.14
    40   1    -0.20  -0.07  -0.13    -0.17  -0.06  -0.10     0.11   0.02   0.22
    41   1    -0.01   0.04   0.00    -0.01   0.03  -0.00     0.03  -0.11  -0.05
    42   1    -0.03   0.01   0.01    -0.03   0.01   0.01     0.04  -0.06  -0.13
    43   1    -0.04  -0.02  -0.12    -0.03  -0.01  -0.10     0.06   0.00   0.18
    44   1    -0.14  -0.06   0.04    -0.11  -0.05   0.03     0.03  -0.09   0.02
    45   1     0.04   0.00   0.06     0.03   0.00   0.05    -0.14  -0.10   0.05
    46   1     0.05   0.05   0.05     0.04   0.04   0.04     0.12  -0.00  -0.04
    47   1     0.14  -0.16   0.20     0.11  -0.13   0.16     0.02  -0.05   0.05
    48   1    -0.01  -0.00   0.21    -0.01   0.00   0.17    -0.04   0.10   0.04
    49   1    -0.11   0.38  -0.07    -0.09   0.30  -0.06    -0.07   0.15  -0.02
    50   1    -0.03   0.01  -0.01     0.03  -0.01   0.01     0.04  -0.06   0.12
    51   1    -0.01   0.03  -0.00     0.01  -0.03  -0.00     0.03  -0.10   0.05
    52   1    -0.04  -0.02   0.10     0.04   0.02  -0.12     0.06   0.00  -0.17
    53   1     0.04   0.04  -0.04    -0.05  -0.05   0.05     0.11  -0.00   0.03
    54   1     0.04   0.00  -0.05    -0.04  -0.00   0.06    -0.13  -0.10  -0.04
    55   1    -0.11  -0.05  -0.03     0.14   0.06   0.04     0.03  -0.09  -0.02
    56   1    -0.01   0.15  -0.11     0.02  -0.19   0.13    -0.01  -0.08   0.22
    57   1    -0.03   0.08  -0.02     0.04  -0.11   0.03     0.13  -0.03  -0.13
    58   1     0.04  -0.04  -0.02    -0.06   0.05   0.03     0.01  -0.15   0.02
    59   1     0.10  -0.13  -0.11    -0.12   0.16   0.13    -0.19   0.21   0.13
    60   1    -0.16  -0.05   0.10     0.21   0.07  -0.13     0.11   0.02  -0.21
    61   1    -0.00  -0.00  -0.17     0.01   0.00   0.21    -0.04   0.09  -0.03
    62   1     0.11  -0.13  -0.16    -0.14   0.16   0.21     0.02  -0.04  -0.04
    63   1    -0.09   0.30   0.06     0.11  -0.38  -0.07    -0.07   0.15   0.02
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1157.4858              1174.9639              1175.2427
 Red. masses --      2.2578                 2.4427                 2.4958
 Frc consts  --      1.7822                 1.9869                 2.0310
 IR Inten    --      3.2696                 1.5614                59.5246
 RamAct Fr= 1--      8.9228                17.3069                 0.4266
  Dep-P Fr= 1--      0.7170                 0.3575                 0.6316
  Dep-U Fr= 1--      0.8352                 0.5268                 0.7742
 Alpha2 Fr= 1--      0.0051                 0.1482                 0.0009
 Beta2  Fr= 1--      1.2420                 1.5194                 0.0550
 AlphaG Fr= 1--     -0.2402                 0.3175                 0.0020
 Gamma2 Fr= 1--     -9.6423                20.8331                 1.3277
 Delta2 Fr= 1--     -1.6812                -0.4968                -0.3371
 Raman1 Fr= 1--      35.691                 69.227                  1.706
 ROA1   Fr= 1--    -979.457               1984.079                116.669
 CID1   Fr= 1--     -27.443                 28.660                 68.372
 Raman2 Fr= 1--      14.904                 18.233                  0.661
 ROA2   Fr= 1--    -217.965                503.969                 34.561
 CID2   Fr= 1--     -14.624                 27.641                 52.321
 Raman3 Fr= 1--      29.809                 36.466                  1.321
 ROA3   Fr= 1--    -979.457               1984.079                116.669
 CID3   Fr= 1--     -32.858                 54.410                 88.311
 RC180  Fr= 1--       0.670                  0.054                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.06    -0.00   0.01   0.05    -0.00   0.01   0.04
     2   6    -0.04  -0.05  -0.09     0.02  -0.02  -0.03     0.01  -0.02  -0.03
     3   6     0.05  -0.04   0.02    -0.05   0.02   0.00    -0.04   0.02   0.00
     4   6    -0.01  -0.01  -0.02    -0.01  -0.04  -0.03    -0.01  -0.04  -0.02
     5   6     0.02   0.06   0.09     0.12  -0.08   0.05     0.10  -0.07   0.04
     6   6    -0.03   0.00  -0.04    -0.04  -0.01  -0.05    -0.04  -0.01  -0.04
     7   6    -0.07   0.07   0.01     0.10   0.06  -0.06     0.08   0.05  -0.05
     8   8    -0.01   0.01   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     9  29     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01  -0.00     0.02   0.00   0.00     0.01   0.00   0.00
    11   6     0.00   0.02  -0.00    -0.02   0.03   0.00    -0.02   0.03   0.00
    12   6    -0.06   0.02   0.03     0.09   0.03   0.02     0.08   0.03   0.02
    13   9     0.01  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    14   6    -0.00  -0.03  -0.04    -0.06   0.04  -0.02    -0.05   0.03  -0.02
    15   6     0.03  -0.03  -0.00    -0.04  -0.01   0.02    -0.04  -0.01   0.02
    16   6     0.03  -0.04  -0.01    -0.04  -0.02   0.02    -0.03  -0.02   0.02
    17   8     0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    18   6     0.01   0.01  -0.02     0.00   0.03  -0.02    -0.01  -0.04   0.03
    19   6    -0.02  -0.05   0.08    -0.10   0.07   0.04     0.12  -0.08  -0.05
    20   6     0.06  -0.07   0.01    -0.08  -0.05  -0.06     0.10   0.06   0.06
    21   6     0.04   0.05  -0.08    -0.01   0.02  -0.03     0.02  -0.02   0.03
    22   6    -0.05   0.04   0.02     0.05  -0.02   0.00    -0.05   0.02  -0.00
    23   6    -0.05  -0.02   0.06     0.00  -0.01   0.04    -0.00   0.01  -0.05
    24   6     0.03  -0.00  -0.04     0.04   0.01  -0.04    -0.04  -0.01   0.05
    25   6    -0.03   0.03  -0.01     0.03   0.02   0.02    -0.04  -0.02  -0.02
    26   6    -0.02   0.03  -0.00     0.04   0.01   0.02    -0.04  -0.01  -0.02
    27   6     0.00   0.03  -0.04     0.05  -0.03  -0.02    -0.06   0.04   0.03
    28   6    -0.00  -0.02  -0.00     0.02  -0.02   0.00    -0.02   0.03  -0.00
    29   6     0.05  -0.02   0.02    -0.07  -0.03   0.02     0.09   0.03  -0.02
    30   9    -0.01   0.00   0.00     0.01  -0.00  -0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.00  -0.02     0.01   0.00   0.00    -0.01  -0.00  -0.01
    33   9    -0.00   0.00  -0.00     0.02   0.02  -0.01    -0.02  -0.02   0.01
    34   9     0.00  -0.00  -0.00    -0.02  -0.02  -0.01    -0.02  -0.02  -0.01
    35   9     0.02  -0.00  -0.02    -0.01  -0.00   0.01    -0.01  -0.00   0.01
    36   1    -0.19   0.21  -0.13     0.05  -0.03   0.19    -0.05   0.02  -0.22
    37   1     0.01  -0.15  -0.02    -0.06  -0.04  -0.13     0.07   0.05   0.15
    38   1    -0.01  -0.08  -0.23    -0.01   0.16   0.06     0.01  -0.19  -0.06
    39   1     0.13  -0.04   0.13     0.07  -0.25  -0.08    -0.09   0.29   0.09
    40   1     0.11   0.02   0.21    -0.11  -0.11   0.23     0.12   0.12  -0.27
    41   1     0.03  -0.10  -0.04     0.03   0.02   0.14    -0.03  -0.02  -0.16
    42   1     0.04  -0.06  -0.12    -0.05  -0.00  -0.00     0.05   0.00   0.01
    43   1     0.05   0.00   0.17    -0.04  -0.04   0.02     0.05   0.05  -0.02
    44   1     0.03  -0.09   0.02     0.11   0.05  -0.03    -0.13  -0.06   0.03
    45   1    -0.13  -0.10   0.04     0.02   0.02  -0.04    -0.02  -0.02   0.04
    46   1     0.11  -0.00  -0.03     0.00  -0.02  -0.03    -0.01   0.02   0.03
    47   1     0.02  -0.05   0.04     0.01  -0.22   0.10    -0.01   0.26  -0.11
    48   1    -0.04   0.09   0.03    -0.05   0.10   0.05     0.06  -0.12  -0.06
    49   1    -0.07   0.14  -0.02    -0.11   0.01   0.04     0.13  -0.01  -0.05
    50   1    -0.04   0.06  -0.13     0.05   0.00  -0.00     0.04   0.00  -0.01
    51   1    -0.03   0.11  -0.05    -0.03  -0.02   0.16    -0.03  -0.01   0.14
    52   1    -0.06  -0.00   0.18     0.05   0.05   0.02     0.04   0.04   0.02
    53   1    -0.12   0.00  -0.04    -0.00   0.02  -0.03    -0.01   0.02  -0.03
    54   1     0.14   0.10   0.05    -0.02  -0.03  -0.04    -0.02  -0.02  -0.04
    55   1    -0.03   0.09   0.02    -0.13  -0.06  -0.03    -0.11  -0.05  -0.03
    56   1     0.01   0.09  -0.24     0.01  -0.19   0.07     0.01  -0.16   0.05
    57   1    -0.13   0.04   0.14    -0.08   0.29  -0.10    -0.08   0.25  -0.08
    58   1    -0.01   0.16  -0.02     0.08   0.05  -0.15     0.06   0.04  -0.13
    59   1     0.19  -0.22  -0.13    -0.05   0.03   0.22    -0.04   0.02   0.18
    60   1    -0.12  -0.02   0.22     0.13   0.12   0.26     0.10   0.10   0.23
    61   1     0.04  -0.10   0.03     0.06  -0.12   0.06     0.05  -0.10   0.05
    62   1    -0.02   0.05   0.05    -0.01   0.26   0.11    -0.01   0.22   0.10
    63   1     0.08  -0.15  -0.02     0.13  -0.01   0.05     0.11  -0.01   0.04
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1181.0040              1181.2365              1204.7122
 Red. masses --      4.1678                 4.4815                 2.3164
 Frc consts  --      3.4250                 3.6842                 1.9808
 IR Inten    --     72.4988                 0.9736               253.2293
 RamAct Fr= 1--      0.1231                16.0508                 1.1170
  Dep-P Fr= 1--      0.6917                 0.5081                 0.7500
  Dep-U Fr= 1--      0.8178                 0.6738                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0763                 0.0000
 Beta2  Fr= 1--      0.0168                 1.8025                 0.1596
 AlphaG Fr= 1--     -0.0005                -0.2484                -0.0000
 Gamma2 Fr= 1--      0.8774                -6.1838                 8.7242
 Delta2 Fr= 1--      0.4747                 3.6805                 2.0216
 Raman1 Fr= 1--       0.492                 64.203                  4.468
 ROA1   Fr= 1--      99.424               -475.865                902.215
 CID1   Fr= 1--     201.881                 -7.412                201.925
 Raman2 Fr= 1--       0.201                 21.630                  1.915
 ROA2   Fr= 1--      17.261               -177.855                193.209
 CID2   Fr= 1--      85.720                 -8.223                100.899
 Raman3 Fr= 1--       0.403                 43.261                  3.830
 ROA3   Fr= 1--      99.424               -475.865                902.215
 CID3   Fr= 1--     246.870                -11.000                235.580
 RC180  Fr= 1--       0.636                  0.348                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02    -0.00  -0.01   0.02     0.01   0.01   0.01
     2   6     0.03  -0.03  -0.04     0.03  -0.03  -0.05    -0.01  -0.01  -0.03
     3   6    -0.08   0.03   0.01    -0.08   0.03   0.01    -0.08  -0.02  -0.01
     4   6    -0.01  -0.05   0.00    -0.02  -0.06   0.00     0.00   0.03   0.01
     5   6    -0.07  -0.03   0.01    -0.08  -0.03   0.00     0.04  -0.04  -0.03
     6   6     0.03   0.03  -0.00     0.04   0.03  -0.00     0.00  -0.01  -0.01
     7   6    -0.11  -0.02   0.02    -0.12  -0.02   0.03    -0.08  -0.08  -0.03
     8   8     0.04  -0.00   0.00     0.04  -0.00  -0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.01   0.01  -0.00     0.06   0.00  -0.00
    11   6    -0.03   0.05   0.01    -0.03   0.06   0.01    -0.01   0.00   0.00
    12   6     0.25   0.05   0.03     0.30   0.05   0.03    -0.11   0.07   0.00
    13   9    -0.03   0.01  -0.03    -0.04   0.01  -0.03     0.02  -0.01   0.02
    14   6     0.05   0.02  -0.01     0.05   0.02  -0.01    -0.02   0.02   0.01
    15   6     0.04  -0.00   0.00     0.04  -0.01   0.00     0.02   0.03   0.03
    16   6     0.05   0.02  -0.01     0.05   0.02  -0.01     0.04   0.04   0.02
    17   8     0.04  -0.00  -0.00    -0.04   0.00  -0.00     0.01  -0.01   0.00
    18   6    -0.01  -0.06  -0.00     0.01   0.06   0.00     0.00   0.03  -0.01
    19   6    -0.08  -0.03  -0.01     0.07   0.03   0.00     0.04  -0.04   0.03
    20   6    -0.12  -0.02  -0.03     0.11   0.02   0.02    -0.08  -0.08   0.03
    21   6     0.03  -0.03   0.05    -0.03   0.03  -0.04    -0.01  -0.01   0.03
    22   6    -0.08   0.03  -0.01     0.07  -0.03   0.01    -0.08  -0.02   0.01
    23   6    -0.00  -0.01  -0.02     0.00   0.01   0.02     0.01   0.01  -0.01
    24   6     0.04   0.03   0.00    -0.03  -0.03  -0.00     0.00  -0.01   0.01
    25   6     0.05   0.02   0.01    -0.05  -0.02  -0.01     0.04   0.04  -0.02
    26   6     0.05  -0.01  -0.00    -0.04   0.00   0.00     0.02   0.03  -0.03
    27   6     0.05   0.02   0.01    -0.04  -0.02  -0.01    -0.02   0.02  -0.01
    28   6    -0.03   0.05  -0.01     0.03  -0.05   0.01    -0.01   0.00  -0.00
    29   6     0.27   0.05  -0.03    -0.27  -0.05   0.03    -0.11   0.07  -0.00
    30   9    -0.04   0.01   0.03     0.04  -0.01  -0.03     0.02  -0.01  -0.02
    31   8     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.06   0.00   0.00
    32   9    -0.05   0.00  -0.03     0.05  -0.00   0.03     0.03  -0.01   0.02
    33   9    -0.06  -0.06   0.02     0.06   0.05  -0.02     0.01  -0.01   0.00
    34   9    -0.06  -0.05  -0.02    -0.07  -0.06  -0.02     0.01  -0.01  -0.00
    35   9    -0.04   0.00   0.03    -0.05   0.00   0.03     0.03  -0.01  -0.02
    36   1     0.10  -0.05   0.22    -0.10   0.05  -0.21    -0.03   0.02  -0.06
    37   1    -0.08   0.02  -0.12     0.08  -0.02   0.11    -0.05   0.06  -0.07
    38   1    -0.03   0.20   0.12     0.03  -0.18  -0.11     0.00  -0.03   0.01
    39   1     0.03  -0.14  -0.09    -0.03   0.12   0.08    -0.02  -0.04  -0.06
    40   1     0.20   0.10  -0.08    -0.17  -0.08   0.07     0.40   0.31  -0.20
    41   1     0.03   0.05   0.20    -0.02  -0.05  -0.18     0.05  -0.01   0.20
    42   1    -0.10  -0.01  -0.03     0.10   0.01   0.03    -0.11  -0.04  -0.11
    43   1    -0.08  -0.07  -0.05     0.07   0.06   0.04    -0.09  -0.09   0.01
    44   1     0.03   0.06  -0.02    -0.03  -0.05   0.02    -0.01  -0.06   0.02
    45   1     0.12   0.07  -0.02    -0.11  -0.06   0.02     0.04  -0.00   0.06
    46   1     0.01   0.02   0.02    -0.01  -0.02  -0.02     0.16   0.06   0.01
    47   1    -0.06  -0.10  -0.03     0.06   0.09   0.02     0.01   0.06  -0.01
    48   1    -0.07   0.17  -0.09     0.06  -0.16   0.08     0.00  -0.01   0.01
    49   1    -0.07  -0.11   0.06     0.06   0.09  -0.05     0.01   0.08  -0.03
    50   1    -0.10  -0.01   0.03    -0.10  -0.01   0.03    -0.11  -0.04   0.11
    51   1     0.02   0.05  -0.19     0.03   0.05  -0.20     0.05  -0.01  -0.19
    52   1    -0.08  -0.06   0.04    -0.08  -0.07   0.05    -0.08  -0.09  -0.01
    53   1     0.01   0.02  -0.02     0.01   0.02  -0.02     0.15   0.06  -0.01
    54   1     0.11   0.07   0.02     0.12   0.07   0.02     0.04  -0.00  -0.06
    55   1     0.03   0.05   0.02     0.03   0.06   0.02    -0.01  -0.06  -0.02
    56   1    -0.03   0.19  -0.11    -0.03   0.20  -0.12     0.00  -0.03  -0.01
    57   1     0.03  -0.13   0.08     0.03  -0.14   0.09    -0.02  -0.04   0.06
    58   1    -0.08   0.01   0.11    -0.09   0.02   0.12    -0.05   0.05   0.07
    59   1     0.09  -0.05  -0.21     0.10  -0.06  -0.22    -0.03   0.02   0.06
    60   1     0.18   0.09   0.07     0.18   0.09   0.08     0.39   0.30   0.20
    61   1    -0.06   0.16   0.08    -0.07   0.17   0.08     0.00  -0.01  -0.01
    62   1    -0.06  -0.10   0.02    -0.06  -0.10   0.02     0.01   0.06   0.01
    63   1    -0.06  -0.10  -0.06    -0.07  -0.10  -0.06     0.01   0.07   0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1206.8119              1212.9739              1213.3315
 Red. masses --      2.1732                 2.1629                 2.0964
 Frc consts  --      1.8647                 1.8749                 1.8183
 IR Inten    --      0.2318                 6.0442               159.3474
 RamAct Fr= 1--     13.2303                 4.1061                 1.0157
  Dep-P Fr= 1--      0.5754                 0.5164                 0.7388
  Dep-U Fr= 1--      0.7305                 0.6811                 0.8498
 Alpha2 Fr= 1--      0.0435                 0.0187                 0.0002
 Beta2  Fr= 1--      1.6107                 0.4661                 0.1439
 AlphaG Fr= 1--      0.4570                 0.0434                 0.0005
 Gamma2 Fr= 1--     10.0701                13.7930                -8.2758
 Delta2 Fr= 1--      3.0534                 4.6713                -5.2336
 Raman1 Fr= 1--      52.921                 16.424                  4.063
 ROA1   Fr= 1--    1064.441               1473.606               -961.954
 CID1   Fr= 1--      20.114                 89.720               -236.776
 Raman2 Fr= 1--      19.328                  5.593                  1.726
 ROA2   Fr= 1--     217.256                293.661               -156.750
 CID2   Fr= 1--      11.240                 52.502                -90.805
 Raman3 Fr= 1--      38.657                 11.187                  3.452
 ROA3   Fr= 1--    1064.441               1473.606               -961.954
 CID3   Fr= 1--      27.536                131.728               -278.630
 RC180  Fr= 1--       0.461                  0.362                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.01    -0.04  -0.02   0.02    -0.05  -0.03   0.03
     2   6    -0.02  -0.01  -0.03     0.05   0.02  -0.05     0.06   0.02  -0.05
     3   6    -0.06  -0.02  -0.01    -0.06   0.03   0.01    -0.06   0.04   0.02
     4   6     0.01   0.03   0.02     0.00  -0.02  -0.01    -0.00  -0.03  -0.02
     5   6     0.05  -0.04  -0.05    -0.05  -0.03   0.05    -0.07  -0.03   0.07
     6   6    -0.01  -0.02  -0.01     0.03   0.04   0.00     0.04   0.05   0.01
     7   6    -0.09  -0.08  -0.02     0.03  -0.04  -0.06     0.06  -0.03  -0.07
     8   8     0.00  -0.01  -0.00     0.03  -0.00   0.00     0.03  -0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.05  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.00   0.00
    11   6    -0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00
    12   6    -0.09   0.07   0.00    -0.07  -0.03  -0.00    -0.07  -0.04  -0.00
    13   9     0.02  -0.01   0.02     0.01  -0.00   0.01     0.01   0.00   0.00
    14   6    -0.03   0.01   0.02     0.03   0.02  -0.03     0.03   0.02  -0.04
    15   6     0.02   0.03   0.03    -0.01   0.01   0.03    -0.02   0.00   0.03
    16   6     0.05   0.03   0.01    -0.01   0.03   0.02    -0.02   0.03   0.02
    17   8    -0.00   0.01  -0.00    -0.03   0.01   0.00     0.03  -0.00  -0.00
    18   6    -0.01  -0.03   0.02     0.00   0.03  -0.01    -0.00  -0.02   0.01
    19   6    -0.05   0.04  -0.05     0.07   0.04   0.07    -0.06  -0.02  -0.06
    20   6     0.09   0.08  -0.02    -0.04   0.04  -0.07     0.05  -0.02   0.06
    21   6     0.02   0.01  -0.03    -0.06  -0.02  -0.06     0.05   0.02   0.04
    22   6     0.06   0.02  -0.01     0.07  -0.04   0.02    -0.05   0.03  -0.01
    23   6    -0.01  -0.02   0.01     0.05   0.03   0.03    -0.04  -0.02  -0.02
    24   6     0.01   0.02  -0.01    -0.04  -0.05   0.01     0.03   0.04  -0.01
    25   6    -0.05  -0.03   0.01     0.01  -0.04   0.03    -0.02   0.02  -0.02
    26   6    -0.02  -0.03   0.03     0.01  -0.01   0.03    -0.01   0.00  -0.02
    27   6     0.02  -0.01   0.02    -0.03  -0.02  -0.04     0.03   0.01   0.03
    28   6     0.00  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    29   6     0.09  -0.06   0.00     0.08   0.04  -0.00    -0.06  -0.03   0.00
    30   9    -0.02   0.01   0.02    -0.01   0.00   0.01     0.01   0.00  -0.00
    31   8    -0.04   0.00  -0.00    -0.03  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.01  -0.02    -0.02  -0.00  -0.01     0.01   0.00   0.01
    33   9    -0.00   0.01  -0.00    -0.02  -0.02   0.01     0.02   0.02  -0.00
    34   9     0.00  -0.01  -0.00     0.02   0.02   0.00     0.02   0.02   0.00
    35   9     0.02  -0.01  -0.02     0.01   0.00  -0.01     0.01   0.00  -0.01
    36   1     0.03  -0.01   0.08    -0.05  -0.03  -0.16     0.04   0.02   0.14
    37   1     0.07  -0.09   0.09    -0.09   0.21  -0.11     0.09  -0.18   0.11
    38   1    -0.02   0.08  -0.00     0.08  -0.32  -0.07    -0.07   0.27   0.06
    39   1     0.03   0.03   0.06    -0.07   0.06  -0.01     0.06  -0.04   0.02
    40   1    -0.39  -0.30   0.16     0.17   0.01   0.38    -0.20  -0.06  -0.26
    41   1    -0.04  -0.00  -0.20    -0.03   0.08  -0.01     0.02  -0.07  -0.03
    42   1     0.11   0.03   0.09     0.02   0.07   0.16     0.01  -0.05  -0.11
    43   1     0.09   0.09   0.00     0.01   0.03  -0.08     0.01  -0.00   0.06
    44   1    -0.01   0.05  -0.01     0.08   0.08  -0.03    -0.07  -0.06   0.02
    45   1    -0.04  -0.00  -0.05    -0.01   0.03  -0.07    -0.00  -0.03   0.05
    46   1    -0.15  -0.05  -0.01    -0.09  -0.05  -0.02     0.05   0.03   0.02
    47   1    -0.03  -0.06  -0.01     0.09   0.02   0.08    -0.07  -0.02  -0.06
    48   1    -0.01   0.02  -0.03     0.03  -0.10   0.13    -0.03   0.08  -0.10
    49   1    -0.01  -0.11   0.04     0.00   0.18  -0.06    -0.00  -0.15   0.05
    50   1    -0.11  -0.03   0.10    -0.02  -0.05   0.13     0.00  -0.06   0.14
    51   1     0.05   0.00  -0.21     0.03  -0.06  -0.02     0.02  -0.08   0.03
    52   1    -0.09  -0.09   0.00    -0.01  -0.03  -0.06     0.01  -0.01  -0.08
    53   1     0.15   0.05  -0.01     0.08   0.04  -0.02     0.06   0.04  -0.02
    54   1     0.04   0.00  -0.05     0.01  -0.02  -0.06    -0.00  -0.03  -0.06
    55   1     0.01  -0.05  -0.01    -0.07  -0.07  -0.03    -0.08  -0.08  -0.03
    56   1     0.02  -0.07  -0.00    -0.06   0.26  -0.06    -0.08   0.33  -0.07
    57   1    -0.03  -0.03   0.07     0.06  -0.05  -0.00     0.08  -0.05  -0.02
    58   1    -0.07   0.09   0.09     0.07  -0.16  -0.09     0.10  -0.22  -0.13
    59   1    -0.03   0.01   0.08     0.04   0.02  -0.13     0.05   0.03  -0.17
    60   1     0.39   0.31   0.17    -0.13   0.00   0.32    -0.23  -0.06   0.33
    61   1     0.01  -0.02  -0.03    -0.03   0.08   0.10    -0.03   0.09   0.13
    62   1     0.03   0.06  -0.01    -0.07  -0.01   0.06    -0.09  -0.02   0.08
    63   1     0.01   0.11   0.04    -0.00  -0.14  -0.05    -0.00  -0.19  -0.06
                    112                    113                    114
                      A                      A                      A
 Frequencies --   1228.5308              1229.0682              1249.4221
 Red. masses --      2.3366                 2.3777                 2.8281
 Frc consts  --      2.0778                 2.1162                 2.6012
 IR Inten    --    133.1237                 3.5045               170.2513
 RamAct Fr= 1--      5.6662                 3.1215                 0.6755
  Dep-P Fr= 1--      0.7500                 0.7007                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8240                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0027                 0.0000
 Beta2  Fr= 1--      0.8095                 0.4287                 0.0965
 AlphaG Fr= 1--     -0.0001                -0.2110                 0.0000
 Gamma2 Fr= 1--     -3.4963                 0.7663                -7.9609
 Delta2 Fr= 1--      3.4600                 1.7321                 2.8274
 Raman1 Fr= 1--      22.665                 12.486                  2.702
 ROA1   Fr= 1--    -224.925                128.995               -673.773
 CID1   Fr= 1--      -9.924                 10.331               -249.351
 Raman2 Fr= 1--       9.713                  5.144                  1.158
 ROA2   Fr= 1--    -111.591                  4.534               -213.681
 CID2   Fr= 1--     -11.488                  0.881               -184.528
 Raman3 Fr= 1--      19.427                 10.289                  2.316
 ROA3   Fr= 1--    -224.925                128.995               -673.773
 CID3   Fr= 1--     -11.578                 12.538               -290.924
 RC180  Fr= 1--       0.714                  0.648                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00    -0.02  -0.01   0.00     0.02  -0.03  -0.03
     2   6     0.05  -0.05   0.03     0.05  -0.05   0.02     0.02   0.01   0.03
     3   6    -0.11   0.03  -0.00    -0.12   0.04   0.00    -0.10  -0.04  -0.01
     4   6     0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.02  -0.01
     5   6    -0.01  -0.03  -0.01    -0.01  -0.05  -0.02    -0.02   0.09   0.04
     6   6     0.04  -0.01  -0.01     0.05  -0.01  -0.02    -0.05   0.03   0.03
     7   6    -0.01   0.14   0.00    -0.03   0.14   0.00     0.06  -0.02   0.09
     8   8     0.02  -0.01   0.00     0.02  -0.01   0.00     0.02  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.05   0.01   0.00     0.05   0.01   0.00     0.05   0.01   0.00
    11   6    -0.02  -0.01  -0.00    -0.02  -0.01   0.00    -0.02  -0.03  -0.00
    12   6    -0.06   0.00  -0.01    -0.06  -0.01  -0.01    -0.02   0.15   0.02
    13   9     0.01  -0.00   0.01     0.01  -0.00   0.01     0.01  -0.02   0.01
    14   6     0.01   0.01   0.01     0.01   0.01   0.01     0.01  -0.03  -0.02
    15   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.02   0.01  -0.04
    16   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.03   0.00  -0.03
    17   8     0.02  -0.01  -0.00    -0.02   0.01   0.00     0.02  -0.00  -0.00
    18   6     0.00  -0.01   0.01    -0.01   0.01  -0.00    -0.01  -0.02   0.01
    19   6    -0.01  -0.04   0.01     0.01   0.05  -0.02    -0.02   0.09  -0.04
    20   6    -0.01   0.15  -0.00     0.03  -0.14   0.00     0.06  -0.02  -0.09
    21   6     0.05  -0.05  -0.03    -0.05   0.05   0.02     0.02   0.01  -0.03
    22   6    -0.12   0.04   0.00     0.11  -0.04   0.00    -0.10  -0.04   0.01
    23   6    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.02  -0.03   0.03
    24   6     0.04  -0.01   0.01    -0.05   0.01  -0.02    -0.05   0.03  -0.03
    25   6     0.01  -0.06   0.01    -0.01   0.05  -0.00    -0.03   0.00   0.03
    26   6     0.01  -0.06   0.01    -0.01   0.06  -0.00    -0.02   0.01   0.04
    27   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01  -0.03   0.02
    28   6    -0.02  -0.01   0.00     0.02   0.00   0.00    -0.02  -0.03   0.00
    29   6    -0.06   0.00   0.01     0.06   0.01  -0.01    -0.02   0.15  -0.02
    30   9     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.02  -0.01
    31   8     0.05   0.01  -0.00    -0.05  -0.00   0.00     0.05   0.01  -0.00
    32   9     0.01  -0.00   0.01    -0.01   0.00  -0.01     0.01  -0.01   0.01
    33   9     0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.02  -0.04   0.01
    34   9     0.01   0.01   0.00     0.01   0.01   0.00    -0.02  -0.04  -0.01
    35   9     0.01  -0.00  -0.01     0.01  -0.00  -0.01     0.01  -0.01  -0.01
    36   1    -0.17   0.21  -0.16     0.17  -0.21   0.17     0.14  -0.16   0.18
    37   1    -0.04  -0.02  -0.07     0.05   0.01   0.09     0.20  -0.13   0.27
    38   1    -0.04   0.17   0.06     0.04  -0.16  -0.06     0.03  -0.02   0.03
    39   1     0.07  -0.14  -0.04    -0.06   0.14   0.05     0.01   0.15   0.14
    40   1     0.13  -0.09   0.31    -0.13   0.07  -0.26     0.17   0.05   0.16
    41   1    -0.06   0.11  -0.08     0.05  -0.11   0.06    -0.01  -0.04  -0.09
    42   1     0.01   0.07   0.17     0.01  -0.07  -0.16     0.11   0.01   0.05
    43   1     0.00   0.04  -0.17     0.01  -0.03   0.17     0.08   0.06   0.09
    44   1    -0.08   0.11  -0.02     0.08  -0.11   0.02     0.12   0.02  -0.02
    45   1     0.12   0.09  -0.06    -0.13  -0.09   0.06    -0.12  -0.04  -0.07
    46   1    -0.19  -0.01   0.06     0.17   0.00  -0.06    -0.06  -0.09  -0.08
    47   1    -0.01  -0.02  -0.00     0.00   0.02   0.00     0.00  -0.06   0.03
    48   1    -0.02   0.05  -0.02     0.02  -0.06   0.02     0.02  -0.04   0.02
    49   1    -0.02   0.02   0.00     0.02  -0.03   0.00     0.01  -0.09   0.03
    50   1     0.01   0.07  -0.16    -0.01   0.07  -0.16     0.11   0.01  -0.05
    51   1    -0.06   0.11   0.08    -0.06   0.12   0.06    -0.01  -0.04   0.09
    52   1     0.00   0.04   0.16    -0.01   0.03   0.18     0.08   0.06  -0.09
    53   1    -0.18  -0.01  -0.05    -0.18  -0.00  -0.06    -0.06  -0.09   0.08
    54   1     0.11   0.08   0.06     0.13   0.09   0.06    -0.12  -0.04   0.07
    55   1    -0.08   0.11   0.02    -0.08   0.11   0.02     0.12   0.02   0.02
    56   1    -0.04   0.16  -0.06    -0.04   0.17  -0.06     0.03  -0.02  -0.03
    57   1     0.07  -0.13   0.04     0.07  -0.14   0.05     0.01   0.15  -0.14
    58   1    -0.04  -0.02   0.07    -0.06  -0.01   0.09     0.20  -0.13  -0.27
    59   1    -0.16   0.20   0.15    -0.18   0.22   0.17     0.14  -0.16  -0.18
    60   1     0.12  -0.09  -0.30     0.14  -0.07  -0.27     0.17   0.05  -0.16
    61   1    -0.02   0.05   0.02    -0.02   0.06   0.02     0.02  -0.04  -0.02
    62   1    -0.01  -0.02   0.00    -0.01  -0.02   0.00     0.00  -0.06  -0.03
    63   1    -0.02   0.02  -0.00    -0.02   0.03   0.00     0.01  -0.09  -0.03
                    115                    116                    117
                      A                      A                      A
 Frequencies --   1251.7358              1254.6144              1255.7906
 Red. masses --      2.8963                 2.6298                 2.8765
 Frc consts  --      2.6738                 2.4389                 2.6727
 IR Inten    --      7.5866                 2.6450               207.5639
 RamAct Fr= 1--     10.4612                20.5160                 3.8151
  Dep-P Fr= 1--      0.3370                 0.7331                 0.7498
  Dep-U Fr= 1--      0.5041                 0.8460                 0.8570
 Alpha2 Fr= 1--      0.0958                 0.0059                 0.0000
 Beta2  Fr= 1--      0.8789                 2.8928                 0.5449
 AlphaG Fr= 1--      0.5212                -0.3470                -0.0002
 Gamma2 Fr= 1--      2.9090                 6.2309                43.3855
 Delta2 Fr= 1--     -0.1234                -5.2734                 4.5213
 Raman1 Fr= 1--      41.845                 82.064                 15.260
 ROA1   Fr= 1--     275.316                429.419               4309.684
 CID1   Fr= 1--       6.579                  5.233                282.408
 Raman2 Fr= 1--      10.546                 34.714                  6.539
 ROA2   Fr= 1--      70.803                191.729               1005.081
 CID2   Fr= 1--       6.714                  5.523                153.698
 Raman3 Fr= 1--      21.092                 69.428                 13.079
 ROA3   Fr= 1--     275.316                429.419               4309.684
 CID3   Fr= 1--      13.053                  6.185                329.520
 RC180  Fr= 1--       0.008                  0.692                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04  -0.02     0.00  -0.03   0.03    -0.01  -0.05   0.03
     2   6     0.02   0.01   0.02     0.07   0.02  -0.03     0.08   0.03  -0.04
     3   6    -0.11  -0.03  -0.01    -0.03   0.07   0.01    -0.04   0.07   0.01
     4   6    -0.01  -0.02  -0.01     0.00  -0.03   0.00    -0.00  -0.03   0.00
     5   6    -0.01   0.08   0.03     0.01  -0.06  -0.04     0.03  -0.07  -0.04
     6   6    -0.05   0.04   0.03    -0.04   0.01  -0.03    -0.04   0.02  -0.03
     7   6     0.04  -0.01   0.11    -0.06  -0.02   0.13    -0.07  -0.02   0.16
     8   8     0.02  -0.00   0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.06   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.03  -0.00    -0.01   0.02   0.00    -0.01   0.02   0.00
    12   6    -0.03   0.15   0.03    -0.03  -0.13  -0.01    -0.04  -0.12  -0.01
    13   9     0.01  -0.02   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    14   6     0.01  -0.02  -0.01     0.00   0.02   0.01    -0.00   0.02   0.01
    15   6    -0.01   0.01  -0.05     0.02   0.00  -0.05     0.02  -0.00  -0.06
    16   6    -0.03  -0.00  -0.03     0.01   0.01  -0.03     0.01   0.01  -0.04
    17   8    -0.02   0.00   0.00    -0.01   0.00  -0.00     0.02  -0.00   0.00
    18   6     0.01   0.02  -0.01    -0.00   0.03   0.00    -0.00  -0.03  -0.00
    19   6     0.01  -0.08   0.03    -0.01   0.07  -0.04     0.03  -0.07   0.04
    20   6    -0.04   0.01   0.11     0.07   0.02   0.13    -0.07  -0.02  -0.16
    21   6    -0.02  -0.01   0.02    -0.07  -0.02  -0.03     0.07   0.02   0.04
    22   6     0.11   0.03  -0.01     0.03  -0.07   0.01    -0.04   0.07  -0.01
    23   6    -0.02   0.04  -0.02    -0.00   0.03   0.03    -0.01  -0.05  -0.03
    24   6     0.05  -0.04   0.03     0.04  -0.01  -0.03    -0.03   0.02   0.02
    25   6     0.03   0.00  -0.03    -0.01  -0.01  -0.03     0.01   0.01   0.04
    26   6     0.01  -0.01  -0.05    -0.02  -0.00  -0.05     0.02  -0.00   0.06
    27   6    -0.01   0.02  -0.01    -0.00  -0.02   0.01    -0.00   0.02  -0.01
    28   6     0.02   0.03  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
    29   6     0.03  -0.15   0.03     0.03   0.13  -0.02    -0.04  -0.11   0.01
    30   9    -0.01   0.02   0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    31   8    -0.06  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   9    -0.02   0.01  -0.02     0.00  -0.01   0.00     0.00   0.01  -0.00
    33   9     0.02   0.04  -0.01    -0.03  -0.04   0.01     0.02   0.03  -0.01
    34   9    -0.02  -0.04  -0.01     0.03   0.04   0.01     0.03   0.04   0.01
    35   9     0.02  -0.01  -0.02    -0.00   0.01   0.00     0.00   0.01   0.00
    36   1    -0.11   0.12  -0.14    -0.10   0.13  -0.06     0.06  -0.07   0.02
    37   1    -0.22   0.16  -0.30     0.04  -0.11   0.00    -0.00   0.05   0.05
    38   1    -0.01  -0.05  -0.06    -0.02   0.17   0.09    -0.00  -0.08  -0.06
    39   1    -0.03  -0.14  -0.15     0.06  -0.43  -0.24    -0.04   0.41   0.25
    40   1    -0.17  -0.05  -0.13     0.03   0.00   0.12    -0.05  -0.01  -0.15
    41   1     0.01   0.03   0.07    -0.01  -0.02  -0.07     0.01   0.02   0.07
    42   1    -0.10  -0.02  -0.06    -0.02  -0.03  -0.07     0.03   0.04   0.08
    43   1    -0.08  -0.06  -0.08    -0.03  -0.01  -0.06     0.04   0.02   0.07
    44   1    -0.14  -0.04   0.03    -0.17  -0.10   0.05     0.19   0.11  -0.06
    45   1     0.12   0.03   0.08     0.04  -0.03   0.11    -0.05   0.03  -0.12
    46   1     0.07   0.09   0.08     0.07   0.08   0.06    -0.09  -0.09  -0.07
    47   1    -0.01   0.05  -0.03     0.01  -0.03   0.03    -0.00   0.04  -0.03
    48   1    -0.01   0.03  -0.02     0.03  -0.06   0.02    -0.03   0.06  -0.02
    49   1    -0.01   0.07  -0.02     0.03  -0.06   0.01    -0.02   0.07  -0.01
    50   1     0.10   0.02  -0.06     0.02   0.03  -0.06     0.03   0.04  -0.09
    51   1    -0.01  -0.03   0.07     0.01   0.02  -0.07     0.01   0.03  -0.08
    52   1     0.08   0.06  -0.08     0.03   0.01  -0.06     0.04   0.02  -0.07
    53   1    -0.07  -0.09   0.08    -0.07  -0.08   0.06    -0.09  -0.10   0.07
    54   1    -0.12  -0.03   0.08    -0.03   0.03   0.10    -0.05   0.03   0.13
    55   1     0.13   0.04   0.03     0.16   0.10   0.05     0.20   0.12   0.06
    56   1     0.01   0.05  -0.06     0.02  -0.16   0.09    -0.00  -0.08   0.06
    57   1     0.03   0.13  -0.15    -0.06   0.42  -0.24    -0.05   0.42  -0.26
    58   1     0.22  -0.16  -0.30    -0.04   0.11   0.00    -0.00   0.06  -0.05
    59   1     0.11  -0.12  -0.14     0.10  -0.12  -0.06     0.07  -0.08  -0.02
    60   1     0.17   0.05  -0.13    -0.03  -0.00   0.12    -0.05  -0.01   0.15
    61   1     0.01  -0.03  -0.02    -0.03   0.06   0.02    -0.03   0.06   0.02
    62   1     0.01  -0.05  -0.03    -0.01   0.03   0.03    -0.00   0.04   0.03
    63   1     0.01  -0.07  -0.02    -0.03   0.05   0.01    -0.02   0.07   0.01
                    118                    119                    120
                      A                      A                      A
 Frequencies --   1260.7252              1261.0237              1295.6518
 Red. masses --      1.5058                 1.5988                 2.0889
 Frc consts  --      1.4101                 1.4980                 2.0661
 IR Inten    --    110.5617                 4.5775                10.0805
 RamAct Fr= 1--      5.8554                13.6951                30.7864
  Dep-P Fr= 1--      0.7496                 0.7166                 0.7294
  Dep-U Fr= 1--      0.8569                 0.8349                 0.8435
 Alpha2 Fr= 1--      0.0000                 0.0079                 0.0109
 Beta2  Fr= 1--      0.8363                 1.9057                 4.3283
 AlphaG Fr= 1--      0.0023                 0.4304                 0.5795
 Gamma2 Fr= 1--    -37.9040                56.3520                45.8164
 Delta2 Fr= 1--    -11.9770                15.6527                17.5580
 Raman1 Fr= 1--      23.422                 54.780                123.145
 ROA1   Fr= 1--   -4022.046               5910.684               4960.231
 CID1   Fr= 1--    -171.723                107.898                 40.279
 Raman2 Fr= 1--      10.035                 22.868                 51.939
 ROA2   Fr= 1--    -813.879               1227.227                959.130
 CID2   Fr= 1--     -81.104                 53.665                 18.466
 Raman3 Fr= 1--      20.070                 45.737                103.878
 ROA3   Fr= 1--   -4022.046               5910.684               4960.231
 CID3   Fr= 1--    -200.400                129.233                 47.750
 RC180  Fr= 1--       0.714                  0.670                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.00    -0.04  -0.03   0.01    -0.00  -0.03   0.06
     2   6    -0.02   0.01  -0.04    -0.01   0.01  -0.06     0.02   0.03  -0.04
     3   6     0.03  -0.03   0.00     0.05  -0.03   0.00     0.00  -0.04  -0.00
     4   6     0.00   0.02   0.00     0.00   0.02   0.01     0.02   0.06   0.01
     5   6     0.06  -0.00  -0.01     0.08  -0.02  -0.03    -0.06  -0.03  -0.03
     6   6     0.02   0.01   0.01     0.02   0.01   0.00     0.05  -0.03  -0.06
     7   6    -0.02  -0.01   0.06    -0.04  -0.01   0.08     0.06   0.01   0.03
     8   8    -0.02   0.00  -0.00    -0.02   0.00  -0.00    -0.00  -0.01  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8    -0.01  -0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.01   0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.00  -0.00     0.03  -0.06  -0.01
    12   6     0.02   0.04   0.01     0.02   0.01   0.01    -0.00   0.10   0.02
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    14   6    -0.02  -0.00   0.01    -0.03   0.00   0.01     0.02   0.00   0.01
    15   6     0.00   0.01  -0.02     0.01   0.01  -0.03    -0.01  -0.01  -0.01
    16   6     0.00  -0.00  -0.01     0.01   0.00  -0.02    -0.02   0.00  -0.01
    17   8    -0.02   0.00   0.00     0.02  -0.00  -0.00     0.00   0.01  -0.00
    18   6     0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.02  -0.06   0.01
    19   6     0.07  -0.01   0.02    -0.07   0.02  -0.02     0.06   0.03  -0.03
    20   6    -0.03  -0.01  -0.07     0.03   0.01   0.07    -0.06  -0.01   0.03
    21   6    -0.02   0.01   0.05     0.01  -0.01  -0.05    -0.02  -0.03  -0.04
    22   6     0.04  -0.03  -0.00    -0.04   0.02   0.00    -0.00   0.04  -0.00
    23   6    -0.04  -0.03  -0.00     0.04   0.03   0.01     0.00   0.03   0.06
    24   6     0.02   0.02  -0.01    -0.02  -0.01   0.00    -0.05   0.03  -0.06
    25   6     0.01  -0.00   0.02    -0.01  -0.00  -0.02     0.02  -0.00  -0.01
    26   6     0.00   0.01   0.02    -0.01  -0.01  -0.02     0.01   0.01  -0.01
    27   6    -0.03  -0.00  -0.01     0.02  -0.00   0.01    -0.02  -0.00   0.01
    28   6     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    29   6     0.02   0.04  -0.01    -0.02  -0.01   0.01     0.00  -0.10   0.02
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   8    -0.01  -0.00   0.00     0.02   0.00  -0.00     0.01  -0.01   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    33   9    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    34   9    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.02  -0.01
    35   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.01  -0.01
    36   1    -0.20   0.24  -0.23     0.17  -0.21   0.21     0.06  -0.08   0.06
    37   1     0.17  -0.24   0.22    -0.13   0.19  -0.17     0.28  -0.25   0.35
    38   1    -0.08   0.34   0.10     0.07  -0.28  -0.07     0.03  -0.10  -0.06
    39   1     0.07  -0.20  -0.06    -0.06   0.14   0.03     0.05  -0.24  -0.09
    40   1    -0.12   0.00  -0.17     0.13   0.01   0.17     0.17   0.04   0.16
    41   1    -0.00   0.02   0.03    -0.00  -0.02  -0.04     0.00   0.03   0.06
    42   1     0.01   0.02   0.04    -0.01  -0.02  -0.04    -0.06   0.01   0.01
    43   1     0.02   0.01   0.02    -0.02  -0.01  -0.02    -0.04  -0.04  -0.04
    44   1     0.09   0.04  -0.02    -0.09  -0.04   0.02    -0.01  -0.00   0.00
    45   1    -0.04   0.00  -0.04     0.03  -0.01   0.05     0.03   0.01   0.02
    46   1    -0.02  -0.04  -0.04     0.02   0.04   0.03     0.04   0.03   0.02
    47   1     0.04   0.06   0.01    -0.03  -0.06  -0.01     0.02   0.04   0.02
    48   1     0.02  -0.05   0.02    -0.01   0.04  -0.01     0.04  -0.08  -0.01
    49   1     0.05   0.07  -0.04    -0.04  -0.07   0.04     0.08  -0.05  -0.02
    50   1     0.01   0.02  -0.04     0.01   0.02  -0.05     0.06  -0.01   0.01
    51   1    -0.00   0.02  -0.02     0.00   0.02  -0.04    -0.00  -0.03   0.06
    52   1     0.01   0.01  -0.01     0.02   0.01  -0.02     0.04   0.04  -0.04
    53   1    -0.01  -0.03   0.03    -0.02  -0.04   0.04    -0.04  -0.03   0.02
    54   1    -0.03   0.00   0.04    -0.04   0.01   0.05    -0.03  -0.01   0.02
    55   1     0.07   0.03   0.02     0.10   0.05   0.03     0.01   0.00   0.00
    56   1    -0.07   0.29  -0.08    -0.08   0.33  -0.09    -0.03   0.10  -0.06
    57   1     0.07  -0.18   0.05     0.07  -0.17   0.04    -0.05   0.24  -0.09
    58   1     0.15  -0.21  -0.19     0.16  -0.23  -0.20    -0.28   0.25   0.35
    59   1    -0.17   0.21   0.19    -0.21   0.25   0.24    -0.06   0.08   0.06
    60   1    -0.10   0.00   0.14    -0.15  -0.01   0.20    -0.17  -0.04   0.16
    61   1     0.01  -0.04  -0.02     0.01  -0.04  -0.02    -0.04   0.09  -0.01
    62   1     0.03   0.05  -0.01     0.04   0.07  -0.01    -0.02  -0.04   0.02
    63   1     0.04   0.06   0.03     0.04   0.08   0.04    -0.08   0.05  -0.02
                    121                    122                    123
                      A                      A                      A
 Frequencies --   1296.7547              1315.6753              1316.4164
 Red. masses --      2.1166                 2.1902                 2.1804
 Frc consts  --      2.0970                 2.2337                 2.2262
 IR Inten    --    251.1811                 0.2477                50.2295
 RamAct Fr= 1--      4.0262                34.9123                 1.7906
  Dep-P Fr= 1--      0.7500                 0.7498                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.5752                 4.9866                 0.2558
 AlphaG Fr= 1--     -0.0000                -0.0184                 0.0000
 Gamma2 Fr= 1--    -31.9923                 7.4929                24.7908
 Delta2 Fr= 1--     -0.2885                -9.9297                 1.2885
 Raman1 Fr= 1--      16.105                139.649                  7.163
 ROA1   Fr= 1--   -3080.490                401.568               2421.146
 CID1   Fr= 1--    -191.277                  2.876                338.030
 Raman2 Fr= 1--       6.902                 59.839                  3.070
 ROA2   Fr= 1--    -765.507                259.267                584.670
 CID2   Fr= 1--    -110.912                  4.333                190.468
 Raman3 Fr= 1--      13.804                119.678                  6.139
 ROA3   Fr= 1--   -3080.490                401.568               2421.146
 CID3   Fr= 1--    -223.162                  3.355                394.369
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03  -0.06    -0.01  -0.04   0.01     0.01   0.05  -0.01
     2   6    -0.01  -0.03   0.04     0.09   0.06   0.05    -0.09  -0.07  -0.05
     3   6    -0.01   0.04   0.00    -0.01  -0.00   0.00     0.01   0.01  -0.00
     4   6    -0.02  -0.06  -0.01    -0.01   0.01   0.00     0.01  -0.01  -0.00
     5   6     0.07   0.03   0.03     0.05   0.01   0.04    -0.05  -0.02  -0.04
     6   6    -0.05   0.03   0.06    -0.01   0.00  -0.01     0.01   0.00   0.02
     7   6    -0.06  -0.01  -0.04    -0.12  -0.02  -0.08     0.11   0.03   0.08
     8   8     0.01   0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    11   6    -0.02   0.06   0.01     0.02  -0.05  -0.01    -0.02   0.05   0.01
    12   6    -0.00  -0.10  -0.02     0.00   0.06   0.01    -0.01  -0.07  -0.01
    13   9    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00  -0.02    -0.02   0.00  -0.02     0.02  -0.00   0.02
    15   6     0.01   0.00   0.01     0.03  -0.00   0.02    -0.03   0.00  -0.02
    16   6     0.02  -0.00   0.01     0.04   0.01   0.03    -0.04  -0.01  -0.03
    17   8     0.01   0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.06   0.01     0.01  -0.01   0.00     0.01  -0.01   0.00
    19   6     0.07   0.03  -0.03    -0.05  -0.01   0.04    -0.05  -0.02   0.04
    20   6    -0.06  -0.01   0.04     0.12   0.02  -0.08     0.11   0.03  -0.08
    21   6    -0.01  -0.03  -0.04    -0.09  -0.06   0.05    -0.09  -0.06   0.05
    22   6    -0.01   0.04  -0.00     0.01   0.00   0.00     0.01   0.01   0.00
    23   6     0.00   0.03   0.06     0.01   0.04   0.01     0.01   0.04   0.01
    24   6    -0.05   0.03  -0.06     0.01  -0.00  -0.01     0.01   0.00  -0.02
    25   6     0.02  -0.00  -0.01    -0.04  -0.01   0.03    -0.03  -0.01   0.03
    26   6     0.01   0.00  -0.01    -0.03   0.00   0.02    -0.02   0.00   0.02
    27   6    -0.02  -0.00   0.02     0.02  -0.00  -0.02     0.02  -0.00  -0.02
    28   6    -0.02   0.06  -0.01    -0.02   0.05  -0.01    -0.02   0.05  -0.01
    29   6    -0.00  -0.10   0.02    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    30   9    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.01  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.01   0.00
    32   9    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00     0.01   0.02  -0.00
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00     0.01   0.02   0.00
    35   9    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.07  -0.08   0.07     0.02  -0.02   0.08     0.03  -0.03   0.09
    37   1     0.28  -0.25   0.36    -0.03   0.02  -0.07    -0.02   0.00  -0.05
    38   1     0.03  -0.11  -0.07     0.00  -0.00   0.06     0.01  -0.02   0.05
    39   1     0.05  -0.22  -0.08     0.01  -0.26  -0.19     0.01  -0.26  -0.19
    40   1     0.16   0.03   0.17     0.33   0.28  -0.25     0.32   0.27  -0.24
    41   1     0.00   0.04   0.06    -0.02  -0.03  -0.13    -0.02  -0.03  -0.13
    42   1    -0.07   0.01   0.01     0.12  -0.02   0.01     0.11  -0.02   0.01
    43   1    -0.04  -0.04  -0.04     0.08   0.09   0.01     0.07   0.09   0.01
    44   1    -0.01   0.00   0.00     0.03  -0.01  -0.00     0.02  -0.00  -0.00
    45   1     0.04   0.01   0.02    -0.09  -0.02  -0.05    -0.08  -0.02  -0.05
    46   1     0.04   0.03   0.02    -0.04  -0.07  -0.06    -0.04  -0.06  -0.06
    47   1     0.01   0.04   0.01    -0.00  -0.05   0.00    -0.00  -0.04  -0.00
    48   1     0.04  -0.09  -0.01    -0.04   0.09   0.03    -0.04   0.08   0.02
    49   1     0.08  -0.05  -0.02    -0.08   0.04   0.02    -0.08   0.04   0.02
    50   1    -0.07   0.01  -0.01    -0.12   0.02   0.01     0.11  -0.02  -0.01
    51   1     0.00   0.04  -0.06     0.02   0.03  -0.13    -0.02  -0.03   0.13
    52   1    -0.04  -0.04   0.04    -0.07  -0.09   0.01     0.07   0.09  -0.01
    53   1     0.04   0.03  -0.02     0.04   0.06  -0.06    -0.04  -0.06   0.06
    54   1     0.04   0.01  -0.02     0.08   0.02  -0.05    -0.08  -0.02   0.06
    55   1    -0.01   0.00  -0.00    -0.03   0.01  -0.00     0.03  -0.00   0.00
    56   1     0.03  -0.11   0.07    -0.00   0.00   0.06     0.01  -0.02  -0.05
    57   1     0.04  -0.22   0.08    -0.01   0.25  -0.18     0.01  -0.27   0.19
    58   1     0.28  -0.25  -0.36     0.03  -0.02  -0.07    -0.02   0.00   0.05
    59   1     0.07  -0.08  -0.07    -0.02   0.02   0.08     0.03  -0.03  -0.09
    60   1     0.16   0.03  -0.17    -0.32  -0.28  -0.25     0.33   0.28   0.25
    61   1     0.04  -0.09   0.01     0.04  -0.08   0.03    -0.04   0.08  -0.02
    62   1     0.02   0.04  -0.01     0.00   0.05   0.00    -0.00  -0.04   0.00
    63   1     0.08  -0.05   0.02     0.08  -0.04   0.02    -0.08   0.04  -0.02
                    124                    125                    126
                      A                      A                      A
 Frequencies --   1330.2987              1330.3971              1356.0026
 Red. masses --      1.5815                 1.5829                 2.9857
 Frc consts  --      1.6490                 1.6507                 3.2345
 IR Inten    --      3.9791                 9.5510                 0.1295
 RamAct Fr= 1--     11.2093                 6.4757                79.1797
  Dep-P Fr= 1--      0.7460                 0.7485                 0.6057
  Dep-U Fr= 1--      0.8545                 0.8562                 0.7544
 Alpha2 Fr= 1--      0.0008                 0.0002                 0.2108
 Beta2  Fr= 1--      1.5964                 0.9241                 9.9560
 AlphaG Fr= 1--     -0.0145                -0.0027                 2.7615
 Gamma2 Fr= 1--      6.7026               -24.6512                 5.0866
 Delta2 Fr= 1--      7.0102                -8.3022                19.0619
 Raman1 Fr= 1--      44.837                 25.903                316.719
 ROA1   Fr= 1--     867.777              -2632.184               1098.295
 CID1   Fr= 1--      19.354               -101.617                  3.468
 Raman2 Fr= 1--      19.157                 11.089                119.472
 ROA2   Fr= 1--     104.781               -525.210                -30.417
 CID2   Fr= 1--       5.470                -47.364                 -0.255
 Raman3 Fr= 1--      38.315                 22.177                238.943
 ROA3   Fr= 1--     867.777              -2632.184               1098.295
 CID3   Fr= 1--      22.649               -118.687                  4.596
 RC180  Fr= 1--       0.709                  0.712                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.04  -0.12   0.05    -0.02   0.01   0.01
     2   6     0.04  -0.01  -0.02    -0.10   0.02   0.05     0.04  -0.01  -0.02
     3   6    -0.02   0.00   0.00     0.04  -0.01  -0.00    -0.04   0.01   0.00
     4   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.01  -0.11  -0.02
     5   6    -0.00  -0.00  -0.01     0.00   0.01   0.02     0.01   0.21   0.04
     6   6    -0.01  -0.00   0.01     0.01   0.01  -0.02     0.04  -0.08  -0.06
     7   6    -0.01   0.01   0.01     0.02  -0.02  -0.03     0.00  -0.06   0.01
     8   8     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.02   0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.05  -0.00  -0.00
    11   6     0.00  -0.02  -0.00    -0.01   0.06   0.01    -0.07   0.05   0.01
    12   6    -0.00   0.02   0.00     0.00  -0.05  -0.01     0.01  -0.04  -0.01
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.04   0.00
    15   6     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.02   0.02  -0.01
    16   6     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01   0.02  -0.01
    17   8    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.02   0.00
    18   6    -0.01  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.11  -0.02
    19   6     0.00   0.01  -0.02     0.00   0.00  -0.01    -0.01  -0.20   0.04
    20   6     0.02  -0.02   0.03     0.01  -0.01   0.01    -0.00   0.06   0.01
    21   6    -0.10   0.02  -0.05    -0.04   0.01  -0.02    -0.04   0.01  -0.02
    22   6     0.04  -0.01   0.00     0.02  -0.00   0.00     0.04  -0.01   0.00
    23   6     0.04  -0.12  -0.05     0.02  -0.05  -0.02     0.02  -0.01   0.01
    24   6     0.02   0.01   0.03     0.01   0.00   0.01    -0.04   0.07  -0.06
    25   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    26   6    -0.00   0.01  -0.01    -0.00   0.01  -0.00     0.02  -0.02  -0.01
    27   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.04   0.00
    28   6    -0.01   0.06  -0.01    -0.00   0.02  -0.00     0.06  -0.05   0.01
    29   6     0.00  -0.05   0.01     0.00  -0.02   0.00    -0.01   0.04  -0.01
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.05   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.01   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.04   0.07  -0.03    -0.01   0.03  -0.01     0.25  -0.24   0.32
    37   1    -0.03   0.04  -0.02    -0.01   0.01  -0.01     0.12  -0.18   0.17
    38   1    -0.05   0.50   0.34    -0.02   0.21   0.14     0.01   0.05   0.05
    39   1    -0.04   0.35   0.22    -0.02   0.14   0.09    -0.01   0.00   0.00
    40   1     0.31   0.19   0.35     0.14   0.08   0.14     0.06   0.04   0.12
    41   1     0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.02   0.05  -0.01
    42   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.01    -0.03   0.03   0.05
    43   1    -0.01  -0.02   0.02    -0.00  -0.01   0.01     0.01   0.00  -0.02
    44   1    -0.02  -0.05   0.02    -0.01  -0.02   0.01    -0.09   0.04   0.01
    45   1    -0.02  -0.03   0.04    -0.01  -0.01   0.02     0.00  -0.02  -0.00
    46   1     0.03   0.02  -0.00     0.01   0.01  -0.00    -0.08   0.03   0.04
    47   1    -0.01   0.01  -0.01    -0.01   0.01  -0.01    -0.06   0.08  -0.11
    48   1     0.00  -0.01  -0.03     0.00  -0.00  -0.01    -0.06   0.12  -0.10
    49   1     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.03   0.08   0.01
    50   1     0.00   0.00  -0.01    -0.01  -0.01   0.02     0.03  -0.03   0.05
    51   1    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.02  -0.05  -0.01
    52   1     0.00   0.01   0.01    -0.01  -0.02  -0.02    -0.01  -0.00  -0.02
    53   1    -0.01  -0.01  -0.00     0.03   0.01   0.00     0.09  -0.03   0.04
    54   1     0.01   0.01   0.02    -0.02  -0.03  -0.04    -0.00   0.02  -0.00
    55   1     0.01   0.02   0.01    -0.02  -0.05  -0.02     0.09  -0.04   0.01
    56   1     0.02  -0.21   0.14    -0.05   0.50  -0.34    -0.01  -0.05   0.05
    57   1     0.02  -0.15   0.09    -0.04   0.34  -0.22     0.01  -0.00   0.00
    58   1     0.01  -0.02  -0.01    -0.03   0.04   0.02    -0.12   0.18   0.17
    59   1     0.02  -0.03  -0.02    -0.04   0.07   0.03    -0.26   0.24   0.32
    60   1    -0.13  -0.08   0.14     0.32   0.19  -0.34    -0.06  -0.04   0.13
    61   1    -0.00   0.00  -0.01     0.00  -0.01   0.03     0.06  -0.12  -0.10
    62   1     0.00  -0.01  -0.01    -0.01   0.01   0.02     0.06  -0.09  -0.11
    63   1    -0.01   0.01   0.00     0.02  -0.02  -0.00     0.03  -0.08   0.01
                    127                    128                    129
                      A                      A                      A
 Frequencies --   1356.8381              1408.5810              1408.6872
 Red. masses --      3.0367                 1.2417                 1.2427
 Frc consts  --      3.2939                 1.4515                 1.4530
 IR Inten    --     72.6819                 4.4711                 3.2950
 RamAct Fr= 1--      4.9478                 0.0996                 0.2488
  Dep-P Fr= 1--      0.7496                 0.7435                 0.7424
  Dep-U Fr= 1--      0.8569                 0.8529                 0.8522
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.7066                 0.0142                 0.0353
 AlphaG Fr= 1--      0.0004                 0.0000                -0.0002
 Gamma2 Fr= 1--    -19.7926                -0.0224                 2.0087
 Delta2 Fr= 1--    -23.6153                -0.2078                -0.0287
 Raman1 Fr= 1--      19.791                  0.399                  0.995
 ROA1   Fr= 1--   -2655.780                 -8.797                191.921
 CID1   Fr= 1--    -134.190                -22.076                192.809
 Raman2 Fr= 1--       8.479                  0.170                  0.424
 ROA2   Fr= 1--    -286.100                  1.126                 48.439
 CID2   Fr= 1--     -33.741                  6.627                114.210
 Raman3 Fr= 1--      16.959                  0.340                  0.848
 ROA3   Fr= 1--   -2655.780                 -8.797                191.921
 CID3   Fr= 1--    -156.602                -25.885                226.257
 RC180  Fr= 1--       0.714                  0.706                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.04  -0.01  -0.02    -0.01  -0.00   0.00     0.01   0.00  -0.00
     3   6    -0.04   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.02  -0.11  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.20   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.04  -0.08  -0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.06   0.01     0.02   0.01  -0.01    -0.01  -0.01   0.01
     8   8     0.01   0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.04  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06   0.05   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.01  -0.04  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.00  -0.04   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.02   0.02  -0.01    -0.07  -0.03  -0.01     0.06   0.02   0.01
    16   6    -0.01   0.02  -0.01    -0.02  -0.02   0.07     0.02   0.02  -0.06
    17   8     0.01   0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.12   0.02     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   6     0.01   0.21  -0.04    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    20   6     0.01  -0.06  -0.01     0.01   0.01   0.01     0.02   0.01   0.01
    21   6     0.04  -0.01   0.02    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    22   6    -0.05   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6     0.04  -0.08   0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.01   0.02   0.01    -0.02  -0.02  -0.06    -0.02  -0.02  -0.07
    26   6    -0.02   0.02   0.01    -0.06  -0.02   0.01    -0.07  -0.03   0.01
    27   6    -0.00  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.01  -0.05   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.05  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.26   0.24  -0.32     0.02  -0.01  -0.00     0.02  -0.02  -0.00
    37   1    -0.12   0.18  -0.17    -0.02  -0.02  -0.01    -0.02  -0.03  -0.01
    38   1    -0.01  -0.05  -0.04     0.00   0.01  -0.01     0.00   0.02  -0.01
    39   1     0.02  -0.01  -0.00    -0.02  -0.00  -0.01    -0.03  -0.00  -0.02
    40   1    -0.04  -0.03  -0.13     0.01   0.00   0.00     0.01   0.00   0.01
    41   1     0.02  -0.05   0.01    -0.03   0.02   0.24    -0.04   0.02   0.28
    42   1     0.03  -0.03  -0.05     0.08   0.16   0.20     0.09   0.18   0.23
    43   1    -0.01   0.00   0.02     0.14  -0.02   0.22     0.16  -0.02   0.24
    44   1     0.09  -0.04  -0.01     0.21   0.06  -0.13     0.24   0.06  -0.14
    45   1    -0.01   0.02   0.00     0.20   0.20   0.00     0.23   0.23   0.00
    46   1     0.08  -0.03  -0.05     0.28   0.00   0.03     0.32   0.00   0.03
    47   1     0.06  -0.09   0.11    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02
    48   1     0.06  -0.12   0.10     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    49   1     0.03  -0.08  -0.01    -0.01   0.01   0.01    -0.02   0.01   0.01
    50   1     0.03  -0.03   0.05     0.09   0.18  -0.23    -0.08  -0.16   0.20
    51   1     0.02  -0.05  -0.01    -0.04   0.02  -0.28     0.03  -0.02   0.24
    52   1    -0.01   0.00  -0.02     0.16  -0.02  -0.25    -0.14   0.02   0.22
    53   1     0.08  -0.03   0.05     0.32   0.00  -0.03    -0.28  -0.00   0.03
    54   1    -0.01   0.02  -0.00     0.23   0.23  -0.00    -0.20  -0.20   0.00
    55   1     0.09  -0.04   0.01     0.24   0.06   0.14    -0.21  -0.06  -0.13
    56   1    -0.01  -0.05   0.04     0.00   0.02   0.01    -0.00  -0.01  -0.01
    57   1     0.01  -0.01   0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    58   1    -0.12   0.18   0.17    -0.02  -0.03   0.01     0.02   0.02  -0.01
    59   1    -0.25   0.24   0.31     0.02  -0.01   0.00    -0.02   0.01  -0.00
    60   1    -0.04  -0.03   0.13     0.01   0.00  -0.01    -0.01  -0.00   0.01
    61   1     0.06  -0.12  -0.10     0.01  -0.01   0.01    -0.01   0.01  -0.01
    62   1     0.06  -0.09  -0.11    -0.02  -0.01   0.02     0.02   0.01  -0.02
    63   1     0.03  -0.08   0.01    -0.02   0.01  -0.01     0.01  -0.00   0.01
                    130                    131                    132
                      A                      A                      A
 Frequencies --   1418.9216              1418.9383              1429.4292
 Red. masses --      1.2957                 1.2962                 1.2448
 Frc consts  --      1.5370                 1.5376                 1.4986
 IR Inten    --     13.1720                 9.7301                16.4723
 RamAct Fr= 1--      1.7169                 2.2501                 1.7051
  Dep-P Fr= 1--      0.3302                 0.3283                 0.3864
  Dep-U Fr= 1--      0.4964                 0.4943                 0.5574
 Alpha2 Fr= 1--      0.0161                 0.0212                 0.0132
 Beta2  Fr= 1--      0.1421                 0.1854                 0.1584
 AlphaG Fr= 1--      0.0242                 0.0332                -0.2584
 Gamma2 Fr= 1--     -0.0178                -0.0445                 6.0429
 Delta2 Fr= 1--      0.0121                 0.1209                 0.7078
 Raman1 Fr= 1--       6.868                  9.000                  6.820
 ROA1   Fr= 1--      -1.321                 -0.401                602.772
 CID1   Fr= 1--      -0.192                 -0.045                 88.377
 Raman2 Fr= 1--       1.705                  2.225                  1.901
 ROA2   Fr= 1--      -0.524                 -2.035                139.368
 CID2   Fr= 1--      -0.307                 -0.915                 73.313
 Raman3 Fr= 1--       3.409                  4.449                  3.802
 ROA3   Fr= 1--      -1.321                 -0.401                602.772
 CID3   Fr= 1--      -0.387                 -0.090                158.542
 RC180  Fr= 1--      -0.007                 -0.011                  0.115
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
     5   6    -0.00   0.04   0.02     0.00  -0.00  -0.00     0.00   0.01   0.01
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02  -0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.03  -0.13  -0.05    -0.00   0.01   0.00     0.00  -0.04  -0.02
    15   6     0.03   0.01   0.01    -0.00  -0.00  -0.00    -0.06  -0.02  -0.01
    16   6    -0.01  -0.01   0.04     0.00   0.00  -0.00     0.02   0.01  -0.06
    17   8     0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    18   6    -0.00  -0.00   0.00    -0.02  -0.01   0.00     0.02   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.04  -0.02    -0.00  -0.00   0.01
    20   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    21   6     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.01
    22   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00  -0.01   0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    24   6     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.04    -0.01  -0.01  -0.06
    26   6     0.00   0.00  -0.00     0.03   0.01  -0.01     0.05   0.02  -0.01
    27   6     0.00  -0.01   0.00     0.03  -0.13   0.05    -0.00   0.03  -0.01
    28   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.01   0.01   0.02
    37   1     0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.03  -0.00
    38   1     0.00  -0.00  -0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.02
    39   1     0.00  -0.00  -0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.00  -0.02
    41   1    -0.00   0.00   0.01    -0.02   0.01   0.15    -0.03   0.01   0.25
    42   1     0.00   0.01   0.01     0.01   0.12   0.14     0.06   0.17   0.20
    43   1     0.01  -0.00   0.01     0.07  -0.05   0.17     0.12  -0.03   0.22
    44   1    -0.01  -0.00   0.01    -0.10  -0.03   0.06    -0.19  -0.05   0.11
    45   1    -0.01  -0.01   0.00    -0.11  -0.13   0.04    -0.17  -0.19   0.02
    46   1    -0.01   0.00   0.00    -0.16   0.03   0.01    -0.25   0.02  -0.01
    47   1     0.01   0.03  -0.03     0.08   0.44  -0.32    -0.02  -0.11   0.08
    48   1    -0.03   0.03  -0.01    -0.33   0.38  -0.14     0.09  -0.11   0.07
    49   1    -0.00   0.04   0.00    -0.04   0.48   0.01    -0.02  -0.14   0.01
    50   1     0.01   0.12  -0.14    -0.00  -0.01   0.01    -0.07  -0.18   0.22
    51   1    -0.02   0.01  -0.15     0.00  -0.00   0.01     0.03  -0.01   0.27
    52   1     0.07  -0.05  -0.17    -0.01   0.00   0.01    -0.14   0.04   0.24
    53   1    -0.16   0.03  -0.01     0.01  -0.00   0.00     0.28  -0.02  -0.01
    54   1    -0.11  -0.13  -0.04     0.01   0.01   0.00     0.19   0.21   0.02
    55   1    -0.10  -0.03  -0.06     0.01   0.00   0.00     0.21   0.05   0.12
    56   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00   0.01   0.02
    57   1     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    58   1     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.03  -0.00
    59   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.02  -0.01   0.02
    60   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.03
    61   1    -0.33   0.38   0.14     0.03  -0.03  -0.01    -0.10   0.12   0.07
    62   1     0.08   0.44   0.32    -0.01  -0.04  -0.03     0.03   0.13   0.08
    63   1    -0.04   0.48  -0.01     0.00  -0.04   0.00     0.02   0.16   0.01
                    133                    134                    135
                      A                      A                      A
 Frequencies --   1429.5443              1458.3969              1471.5108
 Red. masses --      1.2313                 6.3456                 5.8097
 Frc consts  --      1.4825                 7.9520                 7.4119
 IR Inten    --     14.7234                 0.4997                92.9174
 RamAct Fr= 1--      0.1378                27.4346                 2.6488
  Dep-P Fr= 1--      0.6902                 0.6626                 0.7500
  Dep-U Fr= 1--      0.8167                 0.7971                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0427                 0.0000
 Beta2  Fr= 1--      0.0188                 3.6445                 0.3784
 AlphaG Fr= 1--     -0.0015                 3.0968                 0.0000
 Gamma2 Fr= 1--     -2.3858               292.7899               -98.9732
 Delta2 Fr= 1--      0.2034                10.7736                 2.6439
 Raman1 Fr= 1--       0.551                109.739                 10.595
 ROA1   Fr= 1--    -222.529              28452.586              -9416.819
 CID1   Fr= 1--    -403.662                259.276               -888.766
 Raman2 Fr= 1--       0.225                 43.734                  4.541
 ROA2   Fr= 1--     -58.886               6940.769              -2396.507
 CID2   Fr= 1--    -261.585                158.703               -527.775
 Raman3 Fr= 1--       0.450                 87.469                  9.082
 ROA3   Fr= 1--    -222.529              28452.586              -9416.819
 CID3   Fr= 1--    -494.258                325.289              -1036.919
 RC180  Fr= 1--       0.633                  0.594                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.00   0.01   0.01
     2   6     0.00   0.00   0.01     0.01   0.06   0.01    -0.01  -0.06  -0.01
     3   6    -0.00   0.01   0.00     0.04  -0.13  -0.01    -0.03   0.15   0.02
     4   6    -0.01  -0.00  -0.00     0.22   0.06   0.01    -0.18  -0.07  -0.01
     5   6     0.00   0.00   0.00    -0.02  -0.05  -0.01     0.01   0.04   0.01
     6   6    -0.00   0.00  -0.00    -0.01   0.03   0.01     0.01  -0.03   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     8   8     0.01  -0.00   0.00    -0.13   0.03   0.00     0.11  -0.02   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.01   0.00   0.00     0.18  -0.00   0.00    -0.18   0.01   0.00
    11   6     0.01  -0.01  -0.00    -0.30   0.04   0.00     0.28  -0.07  -0.01
    12   6    -0.00   0.00  -0.00     0.04  -0.02  -0.00    -0.03   0.04   0.00
    13   9     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.02     0.02  -0.01  -0.01    -0.02   0.00   0.01
    15   6    -0.05  -0.02  -0.01    -0.01  -0.01   0.01     0.00   0.00  -0.01
    16   6     0.01   0.01  -0.06     0.01  -0.00  -0.02    -0.01   0.00   0.02
    17   8     0.01  -0.00  -0.00     0.13  -0.03   0.00     0.11  -0.02  -0.00
    18   6    -0.01  -0.00   0.00    -0.22  -0.06   0.01    -0.18  -0.07   0.01
    19   6     0.00   0.00  -0.01     0.02   0.05  -0.01     0.01   0.04  -0.01
    20   6     0.00  -0.00  -0.00     0.02  -0.00  -0.01     0.01  -0.00  -0.01
    21   6     0.00  -0.00  -0.01    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    22   6    -0.00   0.01  -0.00    -0.04   0.13  -0.01    -0.03   0.15  -0.02
    23   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    24   6    -0.00   0.00   0.00     0.01  -0.03   0.01     0.01  -0.03  -0.00
    25   6     0.02   0.01   0.06    -0.01   0.00  -0.02    -0.01   0.00  -0.02
    26   6    -0.06  -0.02   0.01     0.01   0.01   0.01     0.00   0.00   0.01
    27   6     0.00  -0.04   0.02    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    28   6     0.02  -0.01   0.00     0.30  -0.04   0.00     0.28  -0.07   0.01
    29   6    -0.00   0.00   0.00    -0.04   0.02  -0.00    -0.03   0.04  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.01   0.00  -0.00    -0.18   0.00   0.00    -0.18   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1     0.02  -0.02  -0.02    -0.14   0.12   0.05    -0.15   0.12   0.09
    37   1    -0.01  -0.03   0.01     0.06   0.18   0.01     0.08   0.20   0.03
    38   1     0.00   0.01  -0.02    -0.01  -0.02   0.08    -0.01  -0.01   0.08
    39   1    -0.02   0.01   0.00     0.06  -0.04  -0.00     0.06  -0.03  -0.00
    40   1     0.01  -0.00   0.03     0.25   0.11  -0.04     0.24   0.11  -0.03
    41   1     0.03  -0.01  -0.27     0.01  -0.05   0.10     0.02  -0.08   0.07
    42   1    -0.07  -0.18  -0.22     0.07   0.08   0.10     0.06   0.07   0.09
    43   1    -0.14   0.04  -0.24     0.03  -0.03   0.09    -0.01  -0.05   0.07
    44   1     0.21   0.05  -0.12    -0.06  -0.02   0.04    -0.07   0.01   0.03
    45   1     0.19   0.21  -0.02    -0.05  -0.01  -0.06    -0.05   0.01  -0.10
    46   1     0.28  -0.02   0.01    -0.01  -0.04  -0.05     0.03  -0.05  -0.06
    47   1     0.03   0.13  -0.09     0.07  -0.05   0.14     0.11  -0.01   0.15
    48   1    -0.10   0.12  -0.08     0.03  -0.05   0.04    -0.01   0.01   0.03
    49   1     0.02   0.16  -0.01     0.09  -0.12  -0.04     0.12  -0.12  -0.05
    50   1    -0.06  -0.17   0.20    -0.07  -0.08   0.10     0.06   0.07  -0.09
    51   1     0.03  -0.01   0.24    -0.01   0.05   0.10     0.02  -0.08  -0.07
    52   1    -0.12   0.03   0.22    -0.03   0.03   0.09    -0.01  -0.05  -0.07
    53   1     0.25  -0.01  -0.01     0.01   0.04  -0.05     0.03  -0.05   0.06
    54   1     0.17   0.19   0.02     0.05   0.01  -0.06    -0.05   0.01   0.10
    55   1     0.19   0.05   0.11     0.06   0.02   0.04    -0.07   0.01  -0.03
    56   1     0.00   0.01   0.02     0.01   0.02   0.07    -0.01  -0.01  -0.08
    57   1    -0.02   0.01  -0.00    -0.06   0.04  -0.00     0.06  -0.03   0.00
    58   1    -0.01  -0.03  -0.00    -0.06  -0.18   0.01     0.08   0.20  -0.03
    59   1     0.02  -0.01   0.02     0.14  -0.12   0.05    -0.15   0.12  -0.09
    60   1     0.01  -0.00  -0.03    -0.25  -0.11  -0.04     0.24   0.11   0.03
    61   1    -0.09   0.11   0.07    -0.03   0.05   0.04    -0.01   0.01  -0.03
    62   1     0.02   0.12   0.08    -0.07   0.05   0.14     0.11  -0.01  -0.15
    63   1     0.02   0.14   0.01    -0.09   0.12  -0.04     0.12  -0.12   0.05
                    136                    137                    138
                      A                      A                      A
 Frequencies --   1485.0771              1485.1138              1485.6781
 Red. masses --      1.0573                 1.0636                 1.0540
 Frc consts  --      1.3739                 1.3821                 1.3706
 IR Inten    --      0.8962                 8.4423                 8.6248
 RamAct Fr= 1--      5.8195                 7.7947                 0.7704
  Dep-P Fr= 1--      0.7484                 0.7500                 0.7458
  Dep-U Fr= 1--      0.8561                 0.8571                 0.8544
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.8303                 1.1135                 0.1097
 AlphaG Fr= 1--     -0.0116                 0.0005                -0.0002
 Gamma2 Fr= 1--     -6.6153                 5.8649                 2.5284
 Delta2 Fr= 1--     -2.3618                -0.9874                 2.0352
 Raman1 Fr= 1--      23.278                 31.179                  3.082
 ROA1   Fr= 1--    -710.642                531.437                307.851
 CID1   Fr= 1--     -30.529                 17.045                 99.903
 Raman2 Fr= 1--       9.964                 13.362                  1.316
 ROA2   Fr= 1--    -139.872                148.658                 44.399
 CID2   Fr= 1--     -14.038                 11.125                 33.727
 Raman3 Fr= 1--      19.928                 26.724                  2.633
 ROA3   Fr= 1--    -710.642                531.437                307.851
 CID3   Fr= 1--     -35.660                 19.886                116.927
 RC180  Fr= 1--       0.712                  0.714                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.01
     6   6    -0.00   0.01  -0.01     0.00  -0.02   0.01    -0.00   0.02  -0.01
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.01
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.01  -0.00  -0.00    -0.02   0.01   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.02
    15   6    -0.01   0.02   0.00     0.01  -0.03  -0.01    -0.00  -0.00   0.02
    16   6     0.01  -0.01  -0.00    -0.01   0.02   0.00    -0.02  -0.00  -0.01
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.00  -0.00
    19   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00  -0.00  -0.00
    23   6     0.01  -0.01   0.02     0.01  -0.01   0.01     0.00  -0.00   0.00
    24   6     0.00  -0.02  -0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    25   6    -0.01   0.02  -0.00    -0.01   0.01  -0.00    -0.02  -0.00   0.01
    26   6     0.01  -0.03   0.01     0.01  -0.02   0.00    -0.00  -0.00  -0.02
    27   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.02
    28   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    31   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    36   1    -0.11   0.08   0.15    -0.07   0.05   0.09     0.06  -0.04  -0.07
    37   1     0.11   0.17   0.06     0.07   0.10   0.04    -0.06  -0.09  -0.03
    38   1     0.02   0.11  -0.16     0.01   0.07  -0.10     0.00  -0.00   0.00
    39   1    -0.19   0.02  -0.07    -0.12   0.01  -0.04    -0.00   0.00   0.00
    40   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.01   0.00   0.01
    41   1     0.12  -0.31   0.06     0.08  -0.19   0.04     0.00  -0.04   0.13
    42   1     0.24   0.05   0.06     0.16   0.03   0.03     0.20  -0.06  -0.06
    43   1    -0.18  -0.08  -0.10    -0.11  -0.05  -0.07     0.05   0.13  -0.12
    44   1    -0.17   0.36  -0.06    -0.10   0.23  -0.04     0.12   0.02  -0.07
    45   1    -0.17  -0.06  -0.23    -0.11  -0.04  -0.14     0.02  -0.09   0.19
    46   1     0.18   0.12   0.17     0.11   0.08   0.11    -0.09   0.12   0.13
    47   1     0.02   0.00   0.02     0.01   0.00   0.01     0.17   0.12   0.11
    48   1    -0.01   0.01  -0.03    -0.01   0.01  -0.02    -0.08   0.12   0.14
    49   1     0.04   0.01  -0.02     0.02   0.00  -0.01     0.06  -0.15  -0.02
    50   1    -0.15  -0.03   0.03     0.25   0.04  -0.05     0.27  -0.08   0.09
    51   1    -0.08   0.19   0.04     0.12  -0.31  -0.07    -0.00  -0.05  -0.18
    52   1     0.11   0.05  -0.06    -0.17  -0.07   0.11     0.07   0.17   0.16
    53   1    -0.11  -0.07   0.11     0.17   0.13  -0.18    -0.12   0.16  -0.18
    54   1     0.11   0.03  -0.14    -0.17  -0.06   0.22     0.03  -0.12  -0.26
    55   1     0.10  -0.23  -0.04    -0.16   0.37   0.07     0.16   0.03   0.09
    56   1    -0.01  -0.07  -0.10     0.02   0.11   0.16     0.00  -0.00  -0.01
    57   1     0.12  -0.01  -0.04    -0.19   0.02   0.07     0.00   0.00  -0.00
    58   1    -0.07  -0.11   0.04     0.11   0.16  -0.06    -0.08  -0.12   0.04
    59   1     0.07  -0.05   0.09    -0.11   0.08  -0.14     0.09  -0.06   0.10
    60   1     0.01   0.00  -0.00    -0.02  -0.01   0.00     0.01   0.00  -0.01
    61   1     0.01  -0.01  -0.02    -0.02   0.02   0.02    -0.11   0.16  -0.19
    62   1    -0.01  -0.00   0.02     0.02   0.01  -0.02     0.24   0.16  -0.15
    63   1    -0.03  -0.00  -0.01     0.04   0.00   0.02     0.08  -0.21   0.03
                    139                    140                    141
                      A                      A                      A
 Frequencies --   1485.7114              1493.5813              1493.6652
 Red. masses --      1.0533                 1.0485                 1.0484
 Frc consts  --      1.3698                 1.3781                 1.3782
 IR Inten    --      3.8464                 0.9334                 3.7073
 RamAct Fr= 1--      1.1196                 7.7918                 4.7976
  Dep-P Fr= 1--      0.5688                 0.7500                 0.6573
  Dep-U Fr= 1--      0.7251                 0.8571                 0.7932
 Alpha2 Fr= 1--      0.0038                 0.0000                 0.0080
 Beta2  Fr= 1--      0.1353                 1.1131                 0.6342
 AlphaG Fr= 1--     -0.0036                 0.0000                 0.0617
 Gamma2 Fr= 1--     -0.6260                13.0629                -8.9393
 Delta2 Fr= 1--     -1.1715                 7.6353                -7.9011
 Raman1 Fr= 1--       4.478                 31.167                 19.190
 ROA1   Fr= 1--     -97.583               1498.371              -1111.011
 CID1   Fr= 1--     -21.789                 48.075                -57.895
 Raman2 Fr= 1--       1.624                 13.357                  7.611
 ROA2   Fr= 1--      -5.652                252.428               -151.335
 CID2   Fr= 1--      -3.481                 18.898                -19.884
 Raman3 Fr= 1--       3.248                 26.715                 15.221
 ROA3   Fr= 1--     -97.583               1498.371              -1111.011
 CID3   Fr= 1--     -30.048                 56.088                -72.990
 RC180  Fr= 1--       0.450                  0.714                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.01     0.01  -0.01   0.01    -0.01   0.01  -0.01
     6   6     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.01   0.00  -0.01     0.00   0.01  -0.00    -0.00  -0.01   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.00  -0.02     0.02  -0.00   0.03    -0.02   0.00  -0.03
    15   6     0.00   0.00  -0.02    -0.00  -0.00  -0.01     0.00   0.00   0.01
    16   6     0.02   0.00   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
    17   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    18   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    20   6    -0.01  -0.00  -0.01     0.00   0.01   0.00     0.00   0.01   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6    -0.00   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.02  -0.00   0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    26   6    -0.00  -0.01  -0.02    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    27   6    -0.01  -0.00  -0.02     0.02  -0.00  -0.03     0.02  -0.00  -0.03
    28   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    36   1     0.08  -0.06  -0.09     0.01  -0.00  -0.02     0.01  -0.00  -0.02
    37   1    -0.08  -0.12  -0.04     0.00  -0.02   0.01     0.00  -0.02   0.01
    38   1     0.00   0.00  -0.00    -0.00  -0.01   0.02    -0.00  -0.01   0.02
    39   1    -0.01   0.00   0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    40   1     0.01  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    41   1     0.00  -0.06   0.18     0.05  -0.09  -0.12     0.05  -0.09  -0.11
    42   1     0.28  -0.08  -0.09    -0.10   0.07   0.08    -0.10   0.07   0.08
    43   1     0.06   0.17  -0.17    -0.13  -0.15   0.07    -0.12  -0.15   0.07
    44   1     0.16   0.04  -0.09    -0.02   0.00   0.01    -0.02  -0.00   0.01
    45   1     0.02  -0.12   0.25     0.01   0.04  -0.05     0.01   0.04  -0.06
    46   1    -0.11   0.16   0.19     0.04  -0.03  -0.04     0.04  -0.04  -0.04
    47   1     0.24   0.16   0.15     0.06   0.21  -0.12     0.06   0.21  -0.12
    48   1    -0.11   0.16   0.19    -0.01   0.06   0.43    -0.02   0.06   0.42
    49   1     0.08  -0.21  -0.03    -0.31  -0.20   0.13    -0.30  -0.20   0.12
    50   1    -0.21   0.06  -0.06    -0.10   0.07  -0.08     0.10  -0.07   0.08
    51   1    -0.00   0.04   0.13     0.05  -0.09   0.11    -0.05   0.09  -0.12
    52   1    -0.05  -0.13  -0.12    -0.12  -0.15  -0.06     0.13   0.15   0.07
    53   1     0.09  -0.12   0.14     0.04  -0.03   0.03    -0.04   0.04  -0.04
    54   1    -0.02   0.09   0.19     0.01   0.04   0.05    -0.01  -0.04  -0.06
    55   1    -0.12  -0.03  -0.07    -0.02   0.00  -0.01     0.02   0.00   0.01
    56   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.02
    57   1     0.00  -0.00   0.00     0.02  -0.00  -0.01    -0.03   0.00   0.01
    58   1     0.06   0.09  -0.03     0.00  -0.02  -0.01    -0.00   0.02   0.01
    59   1    -0.06   0.04  -0.07     0.01  -0.00   0.02    -0.01   0.00  -0.02
    60   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    61   1     0.08  -0.12   0.14    -0.01   0.06  -0.42     0.01  -0.06   0.43
    62   1    -0.17  -0.12   0.11     0.06   0.21   0.12    -0.06  -0.21  -0.12
    63   1    -0.05   0.15  -0.02    -0.31  -0.20  -0.12     0.31   0.20   0.13
                    142                    143                    144
                      A                      A                      A
 Frequencies --   1499.6388              1499.7784              1503.0989
 Red. masses --      1.0592                 1.0650                 1.0598
 Frc consts  --      1.4034                 1.4114                 1.4107
 IR Inten    --      0.1653                 4.9739                 0.1373
 RamAct Fr= 1--      0.1648                 0.5526                 3.5859
  Dep-P Fr= 1--      0.4359                 0.7500                 0.6189
  Dep-U Fr= 1--      0.6072                 0.8571                 0.7646
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0086
 Beta2  Fr= 1--      0.0167                 0.0789                 0.4570
 AlphaG Fr= 1--     -0.0474                 0.0000                 0.0988
 Gamma2 Fr= 1--     -0.4912                 2.7414                -2.9343
 Delta2 Fr= 1--     -0.3427                 0.2615                 1.9086
 Raman1 Fr= 1--       0.659                  2.210                 14.344
 ROA1   Fr= 1--     -58.120                271.545               -220.618
 CID1   Fr= 1--     -88.176                122.860                -15.381
 Raman2 Fr= 1--       0.200                  0.947                  5.484
 ROA2   Fr= 1--      -9.047                 63.703                -85.692
 CID2   Fr= 1--     -45.213                 67.252                -15.626
 Raman3 Fr= 1--       0.400                  1.894                 10.968
 ROA3   Fr= 1--     -58.120                271.545               -220.618
 CID3   Fr= 1--    -145.226                143.337                -20.115
 RC180  Fr= 1--       0.214                  0.714                  0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01   0.01   0.02    -0.01   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01  -0.00
     5   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.01  -0.01
     6   6    -0.00   0.02  -0.01    -0.00   0.02  -0.01    -0.00   0.01  -0.01
     7   6     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.01   0.01   0.01
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.00  -0.01
    15   6     0.00   0.00  -0.02     0.00   0.00  -0.02    -0.00   0.00   0.01
    16   6     0.00   0.01   0.01     0.00   0.02   0.01    -0.01   0.02  -0.00
    17   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.01  -0.00
    19   6     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02  -0.01  -0.01
    20   6    -0.00  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.01   0.01
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.02    -0.01   0.01  -0.02     0.01  -0.01   0.01
    24   6     0.00  -0.02  -0.01    -0.00   0.02   0.01     0.00  -0.01  -0.01
    25   6    -0.00  -0.01   0.01     0.00   0.02  -0.01     0.01  -0.02  -0.00
    26   6    -0.00  -0.00  -0.02     0.00   0.00   0.02     0.00  -0.00   0.01
    27   6     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00  -0.01
    28   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.01   0.00   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00   0.00   0.00     0.01  -0.00   0.00     0.01  -0.00  -0.00
    32   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    36   1    -0.11   0.08   0.13     0.12  -0.09  -0.13    -0.08   0.06   0.13
    37   1     0.10   0.15   0.06    -0.11  -0.16  -0.06     0.08   0.14   0.04
    38   1     0.02   0.10  -0.16    -0.02  -0.11   0.16     0.01   0.08  -0.12
    39   1    -0.18   0.02  -0.06     0.19  -0.02   0.07    -0.13   0.02  -0.05
    40   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.00  -0.01
    41   1    -0.08   0.18   0.03     0.08  -0.19  -0.03    -0.10   0.26  -0.06
    42   1    -0.04  -0.08  -0.09     0.04   0.08   0.10    -0.24  -0.03  -0.03
    43   1     0.14   0.13  -0.02    -0.15  -0.14   0.01     0.14   0.05   0.12
    44   1     0.12   0.02  -0.06    -0.12  -0.02   0.07    -0.07   0.02   0.02
    45   1     0.01  -0.09   0.17    -0.01   0.09  -0.17    -0.02   0.04  -0.11
    46   1    -0.07   0.11   0.13     0.07  -0.11  -0.13     0.07  -0.04  -0.05
    47   1    -0.16  -0.01  -0.19     0.15   0.01   0.19     0.24   0.11   0.21
    48   1     0.09  -0.10   0.09    -0.09   0.10  -0.09    -0.13   0.17   0.07
    49   1    -0.24   0.05   0.10     0.24  -0.04  -0.10     0.19  -0.16  -0.08
    50   1     0.04   0.08  -0.09     0.04   0.08  -0.09     0.22   0.02  -0.03
    51   1     0.08  -0.18   0.03     0.08  -0.18   0.03     0.10  -0.24  -0.06
    52   1    -0.14  -0.13  -0.02    -0.14  -0.13  -0.01    -0.13  -0.04   0.11
    53   1     0.07  -0.11   0.13     0.07  -0.11   0.13    -0.07   0.04  -0.04
    54   1    -0.01   0.09   0.18    -0.01   0.09   0.17     0.02  -0.03  -0.10
    55   1    -0.12  -0.02  -0.07    -0.12  -0.02  -0.06     0.06  -0.02   0.02
    56   1    -0.02  -0.11  -0.16    -0.02  -0.11  -0.16    -0.01  -0.08  -0.11
    57   1     0.18  -0.02  -0.06     0.18  -0.02  -0.06     0.13  -0.02  -0.04
    58   1    -0.11  -0.16   0.06    -0.11  -0.16   0.06    -0.07  -0.13   0.03
    59   1     0.12  -0.09   0.13     0.12  -0.09   0.13     0.08  -0.06   0.12
    60   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01     0.01  -0.00  -0.01
    61   1    -0.09   0.10   0.09    -0.09   0.10   0.09     0.12  -0.16   0.06
    62   1     0.16   0.01  -0.19     0.15   0.01  -0.18    -0.23  -0.10   0.19
    63   1     0.24  -0.05   0.10     0.23  -0.04   0.10    -0.18   0.15  -0.07
                    145                    146                    147
                      A                      A                      A
 Frequencies --   1503.1834              1510.4488              1510.5032
 Red. masses --      1.0684                 1.0758                 1.0745
 Frc consts  --      1.4223                 1.4461                 1.4445
 IR Inten    --     15.6151                 0.6040                 0.2866
 RamAct Fr= 1--      1.7805                 3.5463                 5.3076
  Dep-P Fr= 1--      0.7490                 0.7243                 0.3746
  Dep-U Fr= 1--      0.8565                 0.8401                 0.5451
 Alpha2 Fr= 1--      0.0000                 0.0016                 0.0429
 Beta2  Fr= 1--      0.2542                 0.4965                 0.4822
 AlphaG Fr= 1--      0.0002                 0.0019                 0.0607
 Gamma2 Fr= 1--      1.7734                10.3730                -2.1368
 Delta2 Fr= 1--     -1.9769                 2.5189                -3.4353
 Raman1 Fr= 1--       7.122                 14.185                 21.230
 ROA1   Fr= 1--     106.985               1076.413               -315.065
 CID1   Fr= 1--      15.022                 75.882                -14.840
 Raman2 Fr= 1--       3.050                  5.958                  5.786
 ROA2   Fr= 1--      58.377                228.801                -23.801
 CID2   Fr= 1--      19.141                 38.399                 -4.114
 Raman3 Fr= 1--       6.100                 11.917                 11.572
 ROA3   Fr= 1--     106.985               1076.413               -315.065
 CID3   Fr= 1--      17.539                 90.326                -27.227
 RC180  Fr= 1--       0.713                  0.680                  0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.01
     2   6     0.00   0.01  -0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
     4   6     0.01   0.01   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
     5   6    -0.02  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.01  -0.00
     6   6     0.00  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.01
     7   6     0.01  -0.01  -0.01    -0.02  -0.00  -0.03     0.02   0.00   0.02
     8   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.02   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.01     0.01   0.01  -0.02    -0.01  -0.01   0.01
    16   6     0.01  -0.02   0.00    -0.02  -0.01  -0.00     0.02   0.01   0.00
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   6     0.01   0.01  -0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6    -0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.01  -0.01  -0.01
    20   6     0.01  -0.01   0.01    -0.02  -0.00   0.02    -0.02  -0.00   0.03
    21   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.00   0.01  -0.01
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    24   6     0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.02  -0.00    -0.02  -0.01   0.00    -0.02  -0.01   0.00
    26   6     0.00  -0.00   0.01     0.01   0.01   0.01     0.01   0.01   0.02
    27   6    -0.02  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.01  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.07   0.05   0.12    -0.06   0.04   0.08    -0.08   0.05   0.11
    37   1     0.07   0.12   0.03     0.06   0.08   0.04     0.09   0.12   0.05
    38   1     0.01   0.07  -0.11    -0.01  -0.05   0.08    -0.02  -0.07   0.12
    39   1    -0.13   0.02  -0.04     0.09  -0.00   0.04     0.13  -0.00   0.05
    40   1    -0.01  -0.00  -0.01    -0.02  -0.01   0.02    -0.03  -0.02   0.02
    41   1    -0.09   0.24  -0.06    -0.03   0.02   0.17    -0.04   0.03   0.25
    42   1    -0.22  -0.02  -0.03     0.20  -0.09  -0.11     0.29  -0.13  -0.15
    43   1     0.13   0.04   0.11     0.10   0.17  -0.14     0.15   0.25  -0.21
    44   1    -0.07   0.02   0.02    -0.10  -0.08   0.08    -0.15  -0.12   0.12
    45   1    -0.02   0.04  -0.11     0.03   0.11  -0.15     0.04   0.16  -0.22
    46   1     0.07  -0.04  -0.04     0.07  -0.13  -0.16     0.10  -0.19  -0.24
    47   1     0.23   0.10   0.20    -0.01   0.05  -0.05    -0.01   0.07  -0.08
    48   1    -0.12   0.16   0.06    -0.00   0.01   0.07    -0.01   0.02   0.10
    49   1     0.18  -0.15  -0.07    -0.08  -0.01   0.03    -0.11  -0.01   0.04
    50   1    -0.24  -0.02   0.03     0.29  -0.13   0.15    -0.20   0.09  -0.11
    51   1    -0.10   0.26   0.07    -0.04   0.03  -0.25     0.03  -0.02   0.18
    52   1     0.14   0.04  -0.12     0.15   0.25   0.21    -0.10  -0.18  -0.14
    53   1     0.08  -0.05   0.05     0.10  -0.19   0.24    -0.07   0.13  -0.16
    54   1    -0.02   0.04   0.11     0.04   0.16   0.22    -0.02  -0.11  -0.15
    55   1    -0.07   0.02  -0.02    -0.15  -0.12  -0.12     0.10   0.08   0.08
    56   1     0.01   0.08   0.12    -0.02  -0.07  -0.11     0.01   0.05   0.08
    57   1    -0.13   0.02   0.05     0.13  -0.00  -0.05    -0.09   0.00   0.04
    58   1     0.07   0.13  -0.03     0.09   0.12  -0.05    -0.06  -0.08   0.04
    59   1    -0.08   0.06  -0.13    -0.08   0.06  -0.12     0.05  -0.04   0.08
    60   1    -0.01  -0.00   0.01    -0.03  -0.02  -0.02     0.02   0.01   0.02
    61   1    -0.13   0.17  -0.07    -0.01   0.02  -0.10     0.00  -0.01   0.07
    62   1     0.24   0.11  -0.21    -0.01   0.07   0.08     0.01  -0.05  -0.05
    63   1     0.19  -0.16   0.08    -0.11  -0.01  -0.05     0.08   0.00   0.03
                    148                    149                    150
                      A                      A                      A
 Frequencies --   1519.0853              1519.1198              1524.7315
 Red. masses --      1.0886                 1.0842                 1.0869
 Frc consts  --      1.4801                 1.4742                 1.4888
 IR Inten    --      0.7083                 5.4508                 9.4928
 RamAct Fr= 1--      5.8190                 2.8749                15.6161
  Dep-P Fr= 1--      0.7494                 0.7482                 0.7493
  Dep-U Fr= 1--      0.8568                 0.8560                 0.8567
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0002
 Beta2  Fr= 1--      0.8309                 0.4101                 2.2296
 AlphaG Fr= 1--     -0.0005                -0.0036                -0.0005
 Gamma2 Fr= 1--    -12.5292                10.9867               -15.9012
 Delta2 Fr= 1--     -4.2711                -0.2353                 0.0181
 Raman1 Fr= 1--      23.276                 11.499                 62.464
 ROA1   Fr= 1--   -1339.483               1047.195              -1525.937
 CID1   Fr= 1--     -57.548                 91.065                -24.429
 Raman2 Fr= 1--       9.971                  4.922                 26.755
 ROA2   Fr= 1--    -266.533                265.563               -381.774
 CID2   Fr= 1--     -26.731                 53.959                -14.269
 Raman3 Fr= 1--      19.942                  9.843                 53.511
 ROA3   Fr= 1--   -1339.483               1047.195              -1525.937
 CID3   Fr= 1--     -67.169                106.387                -28.516
 RC180  Fr= 1--       0.714                  0.712                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02   0.04
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.01   0.00
     3   6     0.00   0.02   0.00     0.00   0.02   0.00     0.00  -0.01  -0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.02  -0.00     0.00   0.01   0.00
     5   6     0.00   0.01   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.02    -0.00   0.03  -0.02    -0.00  -0.02   0.02
     7   6     0.00  -0.02  -0.01     0.00  -0.03  -0.01     0.01  -0.01   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.01     0.02  -0.02  -0.01    -0.01  -0.02   0.01
    16   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.00     0.01  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   6     0.00  -0.02   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6     0.00   0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.03   0.01    -0.00   0.02  -0.01     0.01  -0.01  -0.00
    21   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    22   6     0.00   0.02  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.03
    24   6    -0.00   0.03   0.02     0.00  -0.02  -0.02    -0.00  -0.02  -0.02
    25   6    -0.00  -0.02   0.00     0.00   0.01  -0.00     0.01  -0.00   0.00
    26   6     0.02  -0.02   0.01    -0.01   0.01  -0.01    -0.01  -0.02  -0.01
    27   6     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.01  -0.00
    29   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.18  -0.12  -0.25    -0.12   0.08   0.17    -0.09   0.06   0.12
    37   1    -0.17  -0.26  -0.09     0.12   0.18   0.06     0.09   0.14   0.05
    38   1     0.00   0.01   0.00    -0.00  -0.01   0.00    -0.04  -0.20   0.31
    39   1    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.34  -0.03   0.13
    40   1     0.03   0.02  -0.00    -0.02  -0.01   0.00    -0.02   0.00  -0.01
    41   1    -0.10   0.22   0.04     0.07  -0.15  -0.03    -0.03   0.08  -0.05
    42   1    -0.08  -0.08  -0.10     0.05   0.05   0.07    -0.09  -0.01  -0.01
    43   1     0.18   0.14   0.02    -0.12  -0.09  -0.02     0.03  -0.00   0.04
    44   1    -0.22   0.31  -0.02     0.15  -0.21   0.01     0.04   0.20  -0.10
    45   1    -0.19  -0.05  -0.26     0.13   0.03   0.18    -0.06  -0.07   0.03
    46   1     0.18   0.07   0.11    -0.12  -0.05  -0.07     0.05   0.14   0.18
    47   1    -0.06  -0.01  -0.07     0.04   0.01   0.05     0.01   0.00   0.01
    48   1     0.04  -0.05   0.04    -0.03   0.03  -0.03    -0.00   0.01   0.00
    49   1    -0.09   0.01   0.04     0.06  -0.01  -0.03     0.01  -0.00  -0.00
    50   1    -0.05  -0.05   0.07    -0.08  -0.08   0.10    -0.10  -0.01   0.01
    51   1    -0.07   0.15  -0.03    -0.10   0.22  -0.04    -0.03   0.08   0.05
    52   1     0.12   0.10  -0.01     0.18   0.14  -0.02     0.03  -0.00  -0.04
    53   1     0.12   0.05  -0.07     0.18   0.07  -0.11     0.06   0.15  -0.19
    54   1    -0.13  -0.03   0.18    -0.19  -0.05   0.26    -0.06  -0.08  -0.03
    55   1    -0.15   0.21   0.01    -0.21   0.31   0.02     0.05   0.21   0.10
    56   1     0.00   0.01  -0.00     0.00   0.01   0.00    -0.04  -0.21  -0.33
    57   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.36  -0.03  -0.14
    58   1    -0.12  -0.18   0.06    -0.17  -0.27   0.09     0.10   0.15  -0.05
    59   1     0.12  -0.08   0.17     0.18  -0.12   0.25    -0.10   0.07  -0.13
    60   1     0.02   0.01   0.00     0.03   0.02   0.00    -0.02   0.00   0.01
    61   1     0.03  -0.03  -0.03     0.04  -0.05  -0.04    -0.00   0.01  -0.00
    62   1    -0.04  -0.01   0.05    -0.06  -0.01   0.07     0.01   0.00  -0.01
    63   1    -0.06   0.01  -0.03    -0.09   0.01  -0.04     0.01  -0.00   0.00
                    151                    152                    153
                      A                      A                      A
 Frequencies --   1524.7616              1547.7039              1559.6371
 Red. masses --      1.0857                 8.8775                 9.1090
 Frc consts  --      1.4872                12.5289                13.0547
 IR Inten    --     11.5930                10.6229               466.0002
 RamAct Fr= 1--      2.5377               192.2265                 2.7219
  Dep-P Fr= 1--      0.6186                 0.4938                 0.7499
  Dep-U Fr= 1--      0.7644                 0.6611                 0.8571
 Alpha2 Fr= 1--      0.0061                 0.9768                 0.0000
 Beta2  Fr= 1--      0.3233                21.1814                 0.3888
 AlphaG Fr= 1--     -0.0821                 7.3831                -0.0000
 Gamma2 Fr= 1--      6.7254              -264.5745               -37.3825
 Delta2 Fr= 1--      1.4399                46.3377               -32.5781
 Raman1 Fr= 1--      10.151                768.906                 10.887
 ROA1   Fr= 1--     691.718             -23916.348              -4631.225
 CID1   Fr= 1--      68.145                -31.104               -425.373
 Raman2 Fr= 1--       3.879                254.177                  4.666
 ROA2   Fr= 1--     149.891              -6720.490               -636.556
 CID2   Fr= 1--      38.637                -26.440               -136.432
 Raman3 Fr= 1--       7.759                508.354                  9.331
 ROA3   Fr= 1--     691.718             -23916.348              -4631.225
 CID3   Fr= 1--      89.151                -47.047               -496.302
 RC180  Fr= 1--       0.529                  0.322                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.03     0.00   0.00  -0.01    -0.00  -0.00   0.01
     2   6     0.00  -0.01  -0.00     0.06   0.05   0.01    -0.06  -0.04  -0.00
     3   6    -0.00   0.01   0.00    -0.14  -0.36  -0.05     0.14   0.35   0.05
     4   6    -0.00  -0.01  -0.00    -0.21   0.18   0.02     0.25  -0.18  -0.02
     5   6     0.00   0.00   0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
     6   6     0.00   0.02  -0.02     0.00   0.02  -0.01    -0.00  -0.01   0.01
     7   6    -0.01   0.01  -0.00     0.04   0.02   0.00    -0.04  -0.02  -0.00
     8   8     0.00   0.00   0.00     0.10  -0.05  -0.00    -0.13   0.06   0.00
     9  29    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
    10   8    -0.00   0.00   0.00     0.04  -0.03  -0.00     0.00   0.03   0.00
    11   6     0.01  -0.01  -0.00     0.07   0.28   0.04    -0.13  -0.27  -0.04
    12   6    -0.00   0.00  -0.00     0.02  -0.10  -0.01    -0.02   0.09   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    14   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
    15   6     0.01   0.02  -0.01    -0.01  -0.01  -0.00     0.01   0.01   0.00
    16   6    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    17   8    -0.00  -0.00   0.00    -0.10   0.05  -0.00    -0.13   0.05  -0.00
    18   6     0.00   0.01  -0.00     0.21  -0.18   0.02     0.25  -0.18   0.02
    19   6    -0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    20   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00    -0.04  -0.02   0.00
    21   6    -0.00   0.01  -0.00    -0.06  -0.05   0.01    -0.06  -0.04   0.00
    22   6     0.00  -0.01   0.00     0.14   0.36  -0.05     0.14   0.35  -0.05
    23   6    -0.03   0.02  -0.04    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    24   6    -0.00  -0.02  -0.02    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    26   6    -0.01  -0.02  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    27   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    28   6    -0.01   0.01  -0.00    -0.07  -0.28   0.04    -0.13  -0.27   0.04
    29   6     0.00  -0.00  -0.00    -0.02   0.10  -0.01    -0.02   0.09  -0.01
    30   9    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    31   8     0.00  -0.00   0.00    -0.04   0.03  -0.00     0.00   0.03  -0.00
    32   9    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.01  -0.01   0.01
    33   9     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1    -0.10   0.07   0.13    -0.10   0.07   0.07    -0.09   0.06   0.08
    37   1     0.10   0.15   0.05     0.08   0.11   0.06     0.08   0.10   0.06
    38   1    -0.04  -0.21   0.33    -0.01   0.01   0.06    -0.01   0.01   0.06
    39   1     0.36  -0.03   0.14     0.04  -0.02   0.01     0.03  -0.01   0.01
    40   1    -0.02   0.00  -0.01     0.20   0.13   0.01     0.17   0.11   0.01
    41   1    -0.03   0.08  -0.05     0.04  -0.08   0.07     0.04  -0.08   0.06
    42   1    -0.10  -0.01  -0.01     0.07   0.00   0.00     0.06   0.00   0.00
    43   1     0.03  -0.00   0.04    -0.04  -0.02  -0.03    -0.05  -0.02  -0.03
    44   1     0.05   0.21  -0.10     0.03  -0.02   0.00     0.02  -0.02   0.00
    45   1    -0.06  -0.08   0.03     0.00  -0.02   0.04     0.01  -0.01   0.03
    46   1     0.05   0.15   0.19    -0.02   0.01   0.00    -0.02   0.00  -0.01
    47   1     0.01   0.00   0.01     0.06   0.03   0.04     0.08   0.04   0.05
    48   1    -0.00   0.01   0.00    -0.05   0.07  -0.03    -0.06   0.09  -0.03
    49   1     0.01  -0.00  -0.00     0.07  -0.00  -0.02     0.08  -0.01  -0.03
    50   1     0.09   0.01  -0.01    -0.07  -0.00   0.00     0.06   0.00  -0.00
    51   1     0.03  -0.08  -0.05    -0.04   0.08   0.07     0.04  -0.08  -0.06
    52   1    -0.03   0.00   0.04     0.04   0.02  -0.03    -0.05  -0.02   0.03
    53   1    -0.05  -0.14   0.18     0.02  -0.01   0.00    -0.02   0.00   0.01
    54   1     0.06   0.08   0.03    -0.00   0.02   0.04     0.01  -0.01  -0.03
    55   1    -0.04  -0.20  -0.10    -0.03   0.02   0.00     0.02  -0.02  -0.00
    56   1     0.04   0.20   0.31     0.01  -0.01   0.06    -0.01   0.01  -0.06
    57   1    -0.34   0.03   0.13    -0.04   0.02   0.01     0.03  -0.01  -0.01
    58   1    -0.09  -0.14   0.05    -0.08  -0.10   0.06     0.08   0.10  -0.06
    59   1     0.09  -0.07   0.12     0.10  -0.07   0.07    -0.09   0.06  -0.08
    60   1     0.02  -0.00  -0.01    -0.20  -0.13   0.01     0.17   0.11  -0.01
    61   1     0.00  -0.01   0.00     0.05  -0.07  -0.03    -0.06   0.09   0.03
    62   1    -0.01  -0.00   0.01    -0.06  -0.03   0.04     0.08   0.04  -0.05
    63   1    -0.01   0.00  -0.00    -0.07   0.00  -0.02     0.08  -0.01   0.03
                    154                    155                    156
                      A                      A                      A
 Frequencies --   1667.5869              1681.9102              3035.8874
 Red. masses --     11.9413                12.0763                 1.0378
 Frc consts  --     19.5650                20.1275                 5.6357
 IR Inten    --   1288.7588                 0.1615                14.1042
 RamAct Fr= 1--      0.3634              1089.7431                 3.9700
  Dep-P Fr= 1--      0.7498                 0.2867                 0.4613
  Dep-U Fr= 1--      0.8570                 0.4457                 0.6313
 Alpha2 Fr= 1--      0.0000                11.6253                 0.0232
 Beta2  Fr= 1--      0.0519                80.9438                 0.4177
 AlphaG Fr= 1--      0.0000                78.6621                -0.0385
 Gamma2 Fr= 1--      1.7314               558.2354                -6.2717
 Delta2 Fr= 1--     -2.3911               -11.4574                -1.9054
 Raman1 Fr= 1--       1.454               4358.972                 15.880
 ROA1   Fr= 1--      89.695              53223.962               -663.058
 CID1   Fr= 1--      61.705                 12.210                -41.754
 Raman2 Fr= 1--       0.623                971.326                  5.013
 ROA2   Fr= 1--      60.682              13489.310               -135.278
 CID2   Fr= 1--      97.425                 13.888                -26.987
 Raman3 Fr= 1--       1.246               1942.652                 10.026
 ROA3   Fr= 1--      89.695              53223.962               -663.058
 CID3   Fr= 1--      72.003                 27.398                -66.137
 RC180  Fr= 1--       0.714                 -0.109                  0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00   0.00
     2   6     0.02   0.02   0.00    -0.02  -0.02  -0.00     0.00  -0.00   0.00
     3   6    -0.23  -0.13  -0.02     0.22   0.13   0.02     0.00   0.00   0.00
     4   6     0.41  -0.14  -0.00    -0.40   0.14   0.00     0.00  -0.00   0.00
     5   6    -0.03   0.02  -0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.23   0.06   0.00     0.23  -0.06  -0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   8    -0.13  -0.01  -0.00     0.15   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.33   0.18   0.03    -0.34  -0.18  -0.03    -0.00  -0.00   0.00
    12   6    -0.02  -0.02  -0.00     0.01   0.03   0.00     0.00   0.00  -0.00
    13   9     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.02
    17   8    -0.23   0.06  -0.00    -0.23   0.06  -0.00    -0.00   0.00  -0.00
    18   6     0.41  -0.14   0.00     0.40  -0.14   0.00     0.00  -0.00  -0.00
    19   6    -0.03   0.02   0.00    -0.03   0.02  -0.00     0.00  -0.00   0.00
    20   6    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
    21   6     0.02   0.02  -0.00     0.02   0.02  -0.00     0.00  -0.00  -0.00
    22   6    -0.23  -0.13   0.02    -0.22  -0.13   0.02     0.00   0.00  -0.00
    23   6     0.01   0.00   0.01     0.01   0.00   0.01    -0.00   0.00  -0.00
    24   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.04
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.00  -0.01
    27   6     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    28   6     0.33   0.18  -0.03     0.34   0.18  -0.03    -0.00  -0.00  -0.00
    29   6    -0.02  -0.02   0.00    -0.01  -0.03   0.00     0.00  -0.00   0.00
    30   9     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.13  -0.01   0.00    -0.15  -0.00   0.00     0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00  -0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.01   0.06    -0.01  -0.01   0.05     0.01   0.01   0.00
    37   1     0.03   0.02   0.01     0.03   0.02   0.01    -0.01   0.00   0.01
    38   1     0.00   0.02   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    39   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    40   1    -0.03  -0.01   0.01    -0.03  -0.01   0.00    -0.00   0.00   0.00
    41   1     0.01  -0.03   0.04     0.01  -0.02   0.03    -0.29  -0.12   0.00
    42   1     0.04  -0.00   0.00     0.03  -0.00   0.00     0.01   0.37  -0.26
    43   1    -0.01   0.01  -0.02    -0.01   0.00  -0.02     0.30  -0.33  -0.17
    44   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.05  -0.05  -0.16
    45   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.23   0.26   0.13
    46   1     0.01  -0.00  -0.01     0.01  -0.00  -0.00     0.00  -0.25   0.20
    47   1     0.04   0.01   0.01     0.04   0.01   0.02     0.01  -0.01  -0.01
    48   1    -0.06   0.08  -0.05    -0.05   0.08  -0.04    -0.01  -0.00  -0.00
    49   1     0.04   0.02  -0.01     0.04   0.02  -0.01     0.01   0.00   0.03
    50   1     0.04  -0.00  -0.00    -0.03   0.00   0.00     0.01   0.18   0.13
    51   1     0.01  -0.03  -0.04    -0.01   0.02   0.03    -0.14  -0.06  -0.00
    52   1    -0.01   0.01   0.02     0.01  -0.00  -0.02     0.14  -0.16   0.08
    53   1     0.01  -0.00   0.01    -0.01   0.00  -0.00     0.00  -0.12  -0.10
    54   1     0.01   0.01   0.00    -0.01  -0.01  -0.00    -0.11   0.13  -0.06
    55   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.03  -0.03   0.08
    56   1     0.00   0.02  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    57   1    -0.02  -0.01   0.02     0.01   0.01  -0.01    -0.00  -0.00  -0.00
    58   1     0.03   0.02  -0.01    -0.03  -0.02   0.01    -0.00   0.00  -0.00
    59   1    -0.00  -0.01  -0.06     0.01   0.01   0.05     0.00   0.00  -0.00
    60   1    -0.03  -0.01  -0.01     0.03   0.01   0.00    -0.00   0.00  -0.00
    61   1    -0.06   0.08   0.05     0.05  -0.08  -0.04    -0.00  -0.00   0.00
    62   1     0.04   0.01  -0.01    -0.04  -0.01   0.02     0.01  -0.00   0.01
    63   1     0.04   0.02   0.01    -0.04  -0.02  -0.01     0.01   0.00  -0.02
                    157                    158                    159
                      A                      A                      A
 Frequencies --   3035.9072              3040.5098              3040.5492
 Red. masses --      1.0378                 1.0372                 1.0373
 Frc consts  --      5.6358                 5.6497                 5.6502
 IR Inten    --     12.0237                16.6833                16.5885
 RamAct Fr= 1--     19.6300                36.5554                39.7508
  Dep-P Fr= 1--      0.3173                 0.3955                 0.3562
  Dep-U Fr= 1--      0.4817                 0.5668                 0.5252
 Alpha2 Fr= 1--      0.1911                 0.2752                 0.3420
 Beta2  Fr= 1--      1.5761                 3.4533                 3.4798
 AlphaG Fr= 1--     -0.3191                -0.5402                -0.6268
 Gamma2 Fr= 1--      0.4312               -15.1233               -16.6420
 Delta2 Fr= 1--      0.6666               -11.9204               -12.1048
 Raman1 Fr= 1--      78.520                146.222                159.003
 ROA1   Fr= 1--      62.729              -1833.292              -1984.985
 CID1   Fr= 1--       0.799                -12.538                -12.484
 Raman2 Fr= 1--      18.913                 41.439                 41.758
 ROA2   Fr= 1--       5.016               -267.596               -302.569
 CID2   Fr= 1--       0.265                 -6.458                 -7.246
 Raman3 Fr= 1--      37.826                 82.879                 83.516
 ROA3   Fr= 1--      62.729              -1833.292              -1984.985
 CID3   Fr= 1--       1.658                -22.120                -23.768
 RC180  Fr= 1--      -0.037                  0.134                  0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   6    -0.00   0.00   0.00     0.00  -0.03  -0.01     0.00  -0.00  -0.00
    15   6     0.02   0.00   0.01     0.03   0.01   0.02     0.00   0.00   0.00
    16   6    -0.00   0.01  -0.04    -0.00  -0.00   0.02    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00  -0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00   0.02
    26   6    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.02
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.03  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
    38   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    40   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    41   1     0.14   0.06  -0.00     0.00   0.00   0.00    -0.16  -0.07  -0.00
    42   1    -0.01  -0.18   0.13    -0.00  -0.00   0.00     0.01   0.21  -0.15
    43   1    -0.14   0.16   0.08    -0.00   0.00   0.00     0.16  -0.17  -0.09
    44   1     0.03   0.03   0.08    -0.00  -0.00  -0.00     0.07   0.06   0.18
    45   1     0.11  -0.13  -0.06    -0.00   0.01   0.00     0.26  -0.30  -0.15
    46   1    -0.00   0.12  -0.10     0.00  -0.01   0.00    -0.00   0.29  -0.24
    47   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.25  -0.16  -0.21
    48   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.36  -0.25   0.01
    49   1    -0.01  -0.00  -0.02    -0.00  -0.00  -0.00     0.15   0.04   0.37
    50   1     0.01   0.37   0.26    -0.01  -0.20  -0.14    -0.00  -0.00  -0.00
    51   1    -0.29  -0.12  -0.00     0.16   0.07  -0.00     0.00   0.00   0.00
    52   1     0.30  -0.33   0.17    -0.15   0.17  -0.09    -0.00   0.00  -0.00
    53   1     0.00  -0.25  -0.20     0.00  -0.29  -0.23     0.00  -0.00  -0.00
    54   1    -0.23   0.26  -0.13    -0.25   0.29  -0.15    -0.00   0.00  -0.00
    55   1    -0.05  -0.05   0.16    -0.06  -0.06   0.18    -0.00  -0.00   0.00
    56   1     0.01   0.00  -0.00     0.02   0.00  -0.00     0.00   0.00  -0.00
    57   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    58   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    59   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    61   1    -0.01  -0.01   0.00     0.37   0.25   0.01     0.01   0.00   0.00
    62   1     0.01  -0.01   0.01    -0.25   0.16  -0.21    -0.00   0.00  -0.00
    63   1     0.01   0.00  -0.03    -0.15  -0.04   0.37    -0.00  -0.00   0.01
                    160                    161                    162
                      A                      A                      A
 Frequencies --   3043.6614              3043.7706              3062.2768
 Red. masses --      1.0372                 1.0372                 1.0595
 Frc consts  --      5.6611                 5.6615                 5.8538
 IR Inten    --     43.3107                44.5965                16.3434
 RamAct Fr= 1--     62.6804               806.3255               109.9090
  Dep-P Fr= 1--      0.4113                 0.0031                 0.2261
  Dep-U Fr= 1--      0.5829                 0.0062                 0.3688
 Alpha2 Fr= 1--      0.4457                17.7890                 1.3914
 Beta2  Fr= 1--      6.0891                 0.8317                 6.7565
 AlphaG Fr= 1--     -0.1088                -4.2077                 1.0909
 Gamma2 Fr= 1--      9.3577                 2.1940               -20.2631
 Delta2 Fr= 1--     24.0507                 5.1367                 4.1052
 Raman1 Fr= 1--     250.721               3225.302                439.636
 ROA1   Fr= 1--    1667.963                374.996              -1813.892
 CID1   Fr= 1--       6.653                  0.116                 -4.126
 Raman2 Fr= 1--      73.069                  9.981                 81.077
 ROA2   Fr= 1--      32.179                 11.562               -519.156
 CID2   Fr= 1--       0.440                  1.158                 -6.403
 Raman3 Fr= 1--     146.138                 19.962                162.155
 ROA3   Fr= 1--    1667.963                374.996              -1813.892
 CID3   Fr= 1--      11.414                 18.786                -11.186
 RC180  Fr= 1--       0.166                 -0.988                 -0.262
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.02
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.05   0.04
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.01     0.00  -0.02  -0.01     0.00  -0.00  -0.00
    15   6    -0.02  -0.00  -0.01    -0.02  -0.00  -0.01    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.02     0.00   0.00  -0.01    -0.00   0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    25   6     0.00   0.00   0.01    -0.00  -0.00  -0.02     0.00  -0.00  -0.00
    26   6    -0.02  -0.00   0.01     0.02   0.00  -0.01     0.00  -0.00  -0.00
    27   6     0.00  -0.02   0.01    -0.00   0.03  -0.01    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.03  -0.03  -0.00     0.04   0.04   0.00    -0.08  -0.08  -0.01
    37   1     0.02  -0.00  -0.02    -0.03   0.01   0.03     0.07  -0.01  -0.07
    38   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.06   0.00   0.01
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1    -0.00   0.01   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    41   1    -0.11  -0.04  -0.00     0.15   0.06   0.00     0.00   0.00   0.00
    42   1     0.00   0.12  -0.08    -0.00  -0.17   0.12    -0.00  -0.00   0.00
    43   1     0.10  -0.11  -0.06    -0.14   0.16   0.08    -0.00   0.00   0.00
    44   1     0.04   0.03   0.10    -0.05  -0.05  -0.14     0.00  -0.00  -0.00
    45   1     0.14  -0.16  -0.08    -0.20   0.23   0.11    -0.00   0.00   0.00
    46   1    -0.00   0.14  -0.12     0.00  -0.20   0.16     0.00  -0.00   0.00
    47   1    -0.16   0.10   0.13     0.21  -0.14  -0.18     0.00  -0.00  -0.00
    48   1     0.22   0.15  -0.01    -0.30  -0.20   0.01    -0.00  -0.00   0.00
    49   1    -0.09  -0.02  -0.23     0.12   0.03   0.31     0.00   0.00   0.01
    50   1     0.00   0.17   0.12     0.00   0.12   0.09     0.00   0.00   0.00
    51   1    -0.15  -0.06   0.00    -0.11  -0.04   0.00    -0.01  -0.00   0.00
    52   1     0.14  -0.16   0.09     0.11  -0.12   0.06     0.01  -0.01   0.01
    53   1    -0.00   0.20   0.16    -0.00   0.15   0.12    -0.00   0.02   0.01
    54   1     0.20  -0.23   0.12     0.15  -0.17   0.08     0.02  -0.02   0.01
    55   1     0.05   0.05  -0.14     0.04   0.04  -0.10    -0.00   0.00  -0.00
    56   1    -0.02  -0.00   0.00    -0.01  -0.00   0.00    -0.34  -0.03   0.03
    57   1     0.00   0.00   0.00     0.00   0.00   0.00     0.09   0.11   0.16
    58   1     0.03  -0.01   0.03     0.02  -0.00   0.02    -0.43   0.09  -0.40
    59   1    -0.04  -0.04   0.00    -0.03  -0.03   0.00     0.47   0.48  -0.03
    60   1    -0.01   0.01  -0.00    -0.00   0.01  -0.00     0.01  -0.01   0.00
    61   1     0.30   0.20   0.01     0.21   0.14   0.01     0.03   0.02   0.00
    62   1    -0.21   0.13  -0.18    -0.15   0.10  -0.13    -0.02   0.01  -0.02
    63   1    -0.12  -0.03   0.30    -0.09  -0.02   0.22    -0.02  -0.00   0.05
                    163                    164                    165
                      A                      A                      A
 Frequencies --   3062.3155              3071.6227              3071.7453
 Red. masses --      1.0595                 1.0635                 1.0635
 Frc consts  --      5.8540                 5.9118                 5.9122
 IR Inten    --     30.5997                59.2053                31.7465
 RamAct Fr= 1--     79.7808                16.5151               606.1320
  Dep-P Fr= 1--      0.3456                 0.5714                 0.0671
  Dep-U Fr= 1--      0.5137                 0.7272                 0.1257
 Alpha2 Fr= 1--      0.7104                 0.0556                11.4942
 Beta2  Fr= 1--      6.8304                 2.0017                12.6990
 AlphaG Fr= 1--      0.5573                -0.0000                 0.4447
 Gamma2 Fr= 1--      3.6229                34.4091               -44.7080
 Delta2 Fr= 1--     20.5261                10.4228               -36.9450
 Raman1 Fr= 1--     319.123                 66.060               2424.528
 ROA1   Fr= 1--    1004.636               3636.805              -5474.203
 CID1   Fr= 1--       3.148                 55.053                 -2.258
 Raman2 Fr= 1--      81.964                 24.021                152.388
 ROA2   Fr= 1--     -77.259                742.436               -777.431
 CID2   Fr= 1--      -0.943                 30.908                 -5.102
 Raman3 Fr= 1--     163.929                 48.041                304.775
 ROA3   Fr= 1--    1004.636               3636.805              -5474.203
 CID3   Fr= 1--       6.128                 75.701                -17.961
 RC180  Fr= 1--       0.027                  0.454                 -0.749
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.01   0.03     0.03  -0.01  -0.02
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.01   0.01     0.00  -0.02   0.01    -0.00   0.01  -0.01
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
    16   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6     0.02  -0.01   0.02    -0.03   0.01  -0.02    -0.04   0.01  -0.03
    24   6    -0.00  -0.05  -0.04     0.00  -0.01  -0.01     0.00  -0.02  -0.01
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.47   0.48   0.03     0.11   0.12   0.01     0.13   0.13   0.01
    37   1    -0.43   0.09   0.40    -0.15   0.03   0.14    -0.18   0.04   0.17
    38   1    -0.34  -0.03  -0.03     0.52   0.04   0.05     0.59   0.04   0.06
    39   1     0.09   0.11  -0.16    -0.12  -0.14   0.21    -0.13  -0.16   0.24
    40   1     0.01  -0.01  -0.00    -0.03   0.04   0.01    -0.03   0.05   0.01
    41   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    42   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    43   1     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    44   1    -0.00   0.00   0.00    -0.01  -0.01  -0.03    -0.01  -0.01  -0.04
    45   1     0.02  -0.02  -0.01     0.02  -0.03  -0.01     0.03  -0.03  -0.02
    46   1    -0.00   0.02  -0.01     0.00   0.02  -0.02     0.00   0.03  -0.02
    47   1    -0.02   0.01   0.02    -0.01   0.00   0.00    -0.01   0.00   0.01
    48   1     0.03   0.02  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
    49   1    -0.02  -0.00  -0.05    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01
    50   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   1    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.00
    52   1     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.01   0.01  -0.01
    53   1    -0.00   0.00   0.00     0.00   0.03   0.02    -0.00  -0.02  -0.02
    54   1     0.00  -0.00   0.00     0.03  -0.03   0.02    -0.03   0.03  -0.01
    55   1    -0.00   0.00   0.00    -0.02  -0.01   0.04     0.01   0.01  -0.03
    56   1    -0.05  -0.00   0.01     0.59   0.04  -0.06    -0.52  -0.04   0.05
    57   1     0.01   0.02   0.03    -0.13  -0.16  -0.24     0.12   0.14   0.21
    58   1    -0.07   0.01  -0.07    -0.18   0.04  -0.16     0.16  -0.03   0.14
    59   1     0.08   0.08  -0.01     0.13   0.13  -0.01    -0.11  -0.12   0.01
    60   1     0.00  -0.00   0.00    -0.03   0.05  -0.01     0.03  -0.04   0.01
    61   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    63   1    -0.00  -0.00   0.01    -0.01  -0.00   0.01     0.01   0.00  -0.01
                    166                    167                    168
                      A                      A                      A
 Frequencies --   3087.0786              3087.0936              3093.6123
 Red. masses --      1.1012                 1.1012                 1.1005
 Frc consts  --      6.1834                 6.1835                 6.2054
 IR Inten    --      1.3013                 1.3328                 4.7043
 RamAct Fr= 1--      8.5663                 8.6540               123.7261
  Dep-P Fr= 1--      0.7484                 0.7482                 0.7130
  Dep-U Fr= 1--      0.8561                 0.8560                 0.8325
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0791
 Beta2  Fr= 1--      1.2222                 1.2346                17.1668
 AlphaG Fr= 1--     -0.0132                -0.0137                 0.7791
 Gamma2 Fr= 1--     -8.4847                -8.7650               -69.4495
 Delta2 Fr= 1--     -4.0085                -4.1001               -52.4202
 Raman1 Fr= 1--      34.265                 34.616                494.904
 ROA1   Fr= 1--    -942.807               -972.641              -8344.599
 CID1   Fr= 1--     -27.515                -28.098                -16.861
 Raman2 Fr= 1--      14.667                 14.815                206.002
 ROA2   Fr= 1--    -171.566               -177.559              -1247.426
 CID2   Fr= 1--     -11.697                -11.985                 -6.055
 Raman3 Fr= 1--      29.334                 29.631                412.003
 ROA3   Fr= 1--    -942.807               -972.641              -8344.599
 CID3   Fr= 1--     -32.141                -32.825                -20.254
 RC180  Fr= 1--       0.712                  0.712                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00     0.01   0.00  -0.01    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.01   0.03   0.01
    16   6     0.00  -0.00  -0.00    -0.02   0.05   0.01    -0.02   0.03   0.00
    17   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    25   6    -0.02   0.05  -0.01     0.00  -0.00   0.00     0.03  -0.06   0.01
    26   6     0.03  -0.07   0.01    -0.00   0.00   0.00     0.02  -0.04   0.01
    27   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.04   0.04   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
    38   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    39   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    41   1     0.01   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.03   0.00
    42   1    -0.02  -0.33   0.24     0.00   0.00  -0.00     0.02   0.39  -0.29
    43   1     0.26  -0.27  -0.16    -0.00   0.00   0.00    -0.30   0.32   0.19
    44   1     0.02  -0.01   0.04    -0.00  -0.00  -0.00     0.01  -0.00   0.02
    45   1    -0.33   0.36   0.20     0.00  -0.00  -0.00    -0.20   0.22   0.12
    46   1     0.01   0.46  -0.38    -0.00  -0.00   0.00     0.01   0.29  -0.24
    47   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.06   0.04   0.05
    48   1    -0.07  -0.05   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   1    -0.03  -0.01  -0.09    -0.00  -0.00  -0.00     0.01   0.00   0.03
    50   1     0.00   0.00   0.00    -0.02  -0.33  -0.24    -0.01  -0.24  -0.18
    51   1    -0.00  -0.00  -0.00     0.01   0.02   0.00     0.02   0.02   0.00
    52   1    -0.00   0.00  -0.00     0.26  -0.27   0.16     0.18  -0.20   0.12
    53   1     0.00   0.00   0.00     0.01   0.46   0.38    -0.00  -0.17  -0.15
    54   1    -0.00   0.00  -0.00    -0.33   0.37  -0.20     0.12  -0.14   0.08
    55   1     0.00  -0.00  -0.00     0.02  -0.01  -0.04    -0.01   0.00   0.01
    56   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    57   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.01   0.01   0.02
    58   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.02
    59   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.03   0.00
    60   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.00  -0.00  -0.00    -0.07  -0.05  -0.00    -0.00   0.00  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.04  -0.02   0.03
    63   1    -0.00  -0.00   0.00    -0.03  -0.01   0.09    -0.01  -0.00   0.02
                    169                    170                    171
                      A                      A                      A
 Frequencies --   3093.6524              3094.7449              3094.7591
 Red. masses --      1.1005                 1.1054                 1.1054
 Frc consts  --      6.2056                 6.2376                 6.2377
 IR Inten    --     67.4750                 5.5416                 2.4058
 RamAct Fr= 1--    126.4947                30.5618                57.0634
  Dep-P Fr= 1--      0.7480                 0.5465                 0.4577
  Dep-U Fr= 1--      0.8558                 0.7067                 0.6280
 Alpha2 Fr= 1--      0.0043                 0.1192                 0.3391
 Beta2  Fr= 1--     18.0431                 3.5999                 5.9723
 AlphaG Fr= 1--      0.0433                -0.2646                -0.7379
 Gamma2 Fr= 1--     65.1324                10.3319               -16.5806
 Delta2 Fr= 1--     45.3838                 7.2860                 1.5028
 Raman1 Fr= 1--     505.979                122.247                228.254
 ROA1   Fr= 1--    7704.988               1225.012              -1543.648
 CID1   Fr= 1--      15.228                 10.021                 -6.763
 Raman2 Fr= 1--     216.517                 43.198                 71.668
 ROA2   Fr= 1--    1200.106                189.678               -409.957
 CID2   Fr= 1--       5.543                  4.391                 -5.720
 Raman3 Fr= 1--     433.034                 86.397                143.336
 ROA3   Fr= 1--    7704.988               1225.012              -1543.648
 CID3   Fr= 1--      17.793                 14.179                -10.769
 RC180  Fr= 1--       0.712                  0.413                  0.256
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.02   0.02   0.02    -0.01  -0.00  -0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00    -0.07  -0.03  -0.03     0.02   0.01   0.01
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00  -0.00   0.00
    15   6     0.02  -0.04  -0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    16   6     0.03  -0.06  -0.01    -0.00   0.01   0.00     0.00  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.02   0.02  -0.02
    24   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01    -0.07  -0.03   0.03
    25   6     0.02  -0.03   0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    26   6     0.01  -0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
    27   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1     0.03   0.03   0.00     0.10   0.11   0.01     0.40   0.43   0.05
    37   1     0.02  -0.01  -0.02     0.11  -0.03  -0.11     0.44  -0.11  -0.43
    38   1    -0.00   0.00  -0.00    -0.03  -0.00  -0.01    -0.14  -0.01  -0.02
    39   1    -0.01  -0.01   0.02    -0.04  -0.05   0.08    -0.15  -0.20   0.30
    40   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    41   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
    42   1     0.01   0.24  -0.18    -0.00  -0.01   0.01    -0.00  -0.05   0.03
    43   1    -0.18   0.20   0.12     0.01  -0.01  -0.01     0.04  -0.04  -0.02
    44   1     0.01  -0.00   0.01    -0.00  -0.00  -0.01    -0.01  -0.01  -0.04
    45   1    -0.12   0.14   0.07     0.01  -0.01  -0.00     0.03  -0.03  -0.02
    46   1     0.00   0.18  -0.15    -0.00  -0.01   0.01    -0.00  -0.02   0.02
    47   1    -0.04   0.02   0.03    -0.00   0.00   0.00    -0.02   0.01   0.02
    48   1     0.00   0.00  -0.00    -0.02  -0.01   0.00    -0.07  -0.05   0.00
    49   1     0.01   0.00   0.02    -0.01  -0.00  -0.02    -0.02  -0.00  -0.06
    50   1     0.02   0.39   0.28    -0.00  -0.05  -0.04     0.00   0.01   0.01
    51   1    -0.03  -0.03  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    52   1    -0.30   0.32  -0.19     0.04  -0.04   0.02    -0.01   0.01  -0.01
    53   1     0.01   0.28   0.24    -0.00  -0.02  -0.02     0.00   0.00   0.00
    54   1    -0.20   0.22  -0.12     0.03  -0.04   0.02    -0.01   0.01  -0.00
    55   1     0.01  -0.00  -0.02    -0.01  -0.01   0.04     0.00   0.00  -0.01
    56   1    -0.00   0.00   0.00    -0.14  -0.01   0.02     0.03   0.00  -0.01
    57   1    -0.02  -0.02  -0.03    -0.15  -0.20  -0.30     0.04   0.05   0.08
    58   1     0.04  -0.01   0.04     0.44  -0.11   0.43    -0.11   0.03  -0.11
    59   1     0.04   0.05  -0.01     0.40   0.43  -0.05    -0.10  -0.11   0.01
    60   1     0.01  -0.01   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    61   1     0.00   0.00   0.00    -0.07  -0.05  -0.00     0.02   0.01   0.00
    62   1    -0.06   0.04  -0.05    -0.02   0.01  -0.02     0.01  -0.00   0.01
    63   1     0.01   0.00  -0.03    -0.02  -0.00   0.06     0.01   0.00  -0.02
                    172                    173                    174
                      A                      A                      A
 Frequencies --   3104.9284              3104.9963              3107.3770
 Red. masses --      1.1018                 1.1018                 1.1012
 Frc consts  --      6.2582                 6.2584                 6.2647
 IR Inten    --     30.7066                16.7525                 8.6717
 RamAct Fr= 1--     34.7070               100.8752                67.5427
  Dep-P Fr= 1--      0.7057                 0.6833                 0.7494
  Dep-U Fr= 1--      0.8275                 0.8119                 0.8568
 Alpha2 Fr= 1--      0.0267                 0.1184                 0.0007
 Beta2  Fr= 1--      4.7865                13.6498                 9.6446
 AlphaG Fr= 1--      0.1223                 0.5741                -0.0441
 Gamma2 Fr= 1--     18.0360               -27.1462                33.9655
 Delta2 Fr= 1--     29.3252                -7.8083                 2.4134
 Raman1 Fr= 1--     138.828                403.501                270.171
 ROA1   Fr= 1--    2669.861              -2855.905               3337.922
 CID1   Fr= 1--      19.231                 -7.078                 12.355
 Raman2 Fr= 1--      57.438                163.797                115.735
 ROA2   Fr= 1--     198.262               -589.043                795.866
 CID2   Fr= 1--       3.452                 -3.596                  6.877
 Raman3 Fr= 1--     114.876                327.594                231.470
 ROA3   Fr= 1--    2669.861              -2855.905               3337.922
 CID3   Fr= 1--      23.241                 -8.718                 14.421
 RC180  Fr= 1--       0.655                  0.624                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.06   0.03  -0.05     0.02   0.01  -0.02    -0.06   0.02  -0.07
    15   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
    16   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    27   6     0.02   0.01   0.02    -0.06  -0.03  -0.05    -0.00   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.00   0.00   0.00
    37   1    -0.01   0.00   0.01     0.03  -0.01  -0.03     0.00  -0.00  -0.00
    38   1     0.01   0.00   0.00    -0.03  -0.00  -0.00    -0.00  -0.00  -0.00
    39   1     0.01   0.01  -0.02    -0.03  -0.04   0.06    -0.00  -0.00   0.00
    40   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    41   1    -0.02  -0.01  -0.00     0.04   0.02   0.00    -0.00  -0.00  -0.00
    42   1     0.00   0.02  -0.01    -0.00  -0.06   0.04     0.00   0.00  -0.00
    43   1    -0.02   0.02   0.01     0.04  -0.05  -0.03    -0.00   0.00   0.00
    44   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.00   0.00   0.00
    45   1     0.01  -0.01  -0.00    -0.02   0.03   0.01    -0.00   0.00   0.00
    46   1    -0.00  -0.02   0.01     0.00   0.05  -0.04     0.00   0.00  -0.00
    47   1     0.01  -0.00  -0.00    -0.04   0.01   0.00     0.03  -0.02  -0.02
    48   1    -0.18  -0.12   0.01     0.50   0.35  -0.03     0.02   0.01   0.00
    49   1    -0.09  -0.02  -0.22     0.25   0.05   0.64    -0.01  -0.00  -0.01
    50   1     0.00   0.06   0.04     0.00   0.02   0.02     0.00   0.02   0.01
    51   1    -0.04  -0.02   0.00    -0.01  -0.00   0.00    -0.08  -0.04   0.00
    52   1    -0.04   0.05  -0.03    -0.01   0.02  -0.01    -0.04   0.05  -0.03
    53   1    -0.00  -0.05  -0.04    -0.00  -0.02  -0.02     0.00   0.04   0.03
    54   1     0.02  -0.03   0.01     0.01  -0.01   0.00    -0.03   0.03  -0.02
    55   1    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.02
    56   1     0.04   0.00  -0.00     0.01   0.00  -0.00    -0.02  -0.00   0.00
    57   1     0.03   0.04   0.06     0.01   0.01   0.02    -0.02  -0.03  -0.04
    58   1    -0.03   0.01  -0.03    -0.01   0.00  -0.01     0.01  -0.00   0.01
    59   1    -0.04  -0.04   0.01    -0.01  -0.01   0.00     0.01   0.01  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    61   1    -0.51  -0.36  -0.03    -0.18  -0.12  -0.01     0.30   0.22  -0.00
    62   1     0.01   0.01  -0.02     0.00   0.00  -0.00     0.57  -0.38   0.48
    63   1    -0.24  -0.05   0.63    -0.09  -0.02   0.22    -0.15  -0.02   0.32
                    175                    176                    177
                      A                      A                      A
 Frequencies --   3107.4617              3112.2185              3112.2990
 Red. masses --      1.1012                 1.0998                 1.0998
 Frc consts  --      6.2652                 6.2764                 6.2768
 IR Inten    --      9.0460                33.3902                 8.0729
 RamAct Fr= 1--     72.5053                28.5654                82.1827
  Dep-P Fr= 1--      0.7487                 0.7364                 0.7258
  Dep-U Fr= 1--      0.8563                 0.8482                 0.8411
 Alpha2 Fr= 1--      0.0016                 0.0066                 0.0342
 Beta2  Fr= 1--     10.3473                 4.0382                11.5205
 AlphaG Fr= 1--     -0.0726                -0.0235                -0.1188
 Gamma2 Fr= 1--     -2.9827                29.2472               -24.3672
 Delta2 Fr= 1--    -24.3923                14.0067               -15.9533
 Raman1 Fr= 1--     290.021                114.261                328.731
 ROA1   Fr= 1--   -1066.889               3255.948              -2849.757
 CID1   Fr= 1--      -3.679                 28.496                 -8.669
 Raman2 Fr= 1--     124.168                 48.458                138.246
 ROA2   Fr= 1--     123.555                589.879               -457.186
 CID2   Fr= 1--       0.995                 12.173                 -3.307
 Raman3 Fr= 1--     248.335                 96.916                276.493
 ROA3   Fr= 1--   -1066.889               3255.948              -2849.757
 CID3   Fr= 1--      -4.296                 33.595                -10.307
 RC180  Fr= 1--       0.713                  0.696                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9  29     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    15   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.00   0.00  -0.00    -0.03  -0.01  -0.01    -0.07  -0.03  -0.02
    17   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.00
    24   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    25   6     0.01  -0.00  -0.00    -0.07  -0.03   0.02     0.03   0.01  -0.01
    26   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   6    -0.06   0.01   0.06    -0.00   0.00   0.01     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    32   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    36   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.01   0.01   0.00
    37   1     0.01  -0.00  -0.02    -0.05   0.01   0.04     0.02  -0.00  -0.02
    38   1    -0.02  -0.00  -0.00    -0.09  -0.00  -0.01     0.04   0.00   0.00
    39   1    -0.02  -0.03   0.04    -0.06  -0.09   0.13     0.03   0.03  -0.05
    40   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01  -0.00
    41   1    -0.08  -0.03  -0.00     0.75   0.31   0.02    -0.27  -0.11  -0.01
    42   1     0.00   0.01  -0.01    -0.01   0.25  -0.18     0.00  -0.09   0.07
    43   1    -0.04   0.05   0.03     0.14  -0.18  -0.09    -0.05   0.07   0.03
    44   1     0.01   0.01   0.02     0.02   0.02   0.05    -0.01  -0.01  -0.02
    45   1    -0.03   0.03   0.02    -0.01   0.01   0.01     0.00  -0.00  -0.00
    46   1     0.00   0.04  -0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    47   1     0.57  -0.38  -0.48     0.04  -0.03  -0.03    -0.02   0.01   0.01
    48   1     0.32   0.24   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1    -0.14  -0.02  -0.29    -0.02  -0.01  -0.06     0.01   0.00   0.02
    50   1    -0.00  -0.00  -0.00    -0.00   0.09   0.07    -0.01   0.25   0.18
    51   1     0.01   0.00  -0.00     0.28   0.11  -0.01     0.75   0.31  -0.02
    52   1     0.00  -0.00   0.00     0.05  -0.07   0.03     0.14  -0.18   0.09
    53   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    54   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    55   1    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.02   0.02  -0.05
    56   1     0.00   0.00  -0.00    -0.03  -0.00   0.00    -0.09  -0.00   0.01
    57   1     0.00   0.00   0.00    -0.02  -0.03  -0.04    -0.06  -0.09  -0.13
    58   1    -0.00   0.00  -0.00    -0.02   0.00  -0.02    -0.05   0.01  -0.05
    59   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.03  -0.04   0.00
    60   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    62   1    -0.03   0.02  -0.02     0.01  -0.01   0.01     0.04  -0.03   0.03
    63   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.02  -0.00   0.06
                    178                    179                    180
                      A                      A                      A
 Frequencies --   3115.5825              3115.6570              3128.1736
 Red. masses --      1.1035                 1.1035                 1.0883
 Frc consts  --      6.3113                 6.3115                 6.2748
 IR Inten    --     74.1376                33.3872                34.8870
 RamAct Fr= 1--     18.1677               115.7502                57.5410
  Dep-P Fr= 1--      0.7500                 0.7498                 0.2206
  Dep-U Fr= 1--      0.8571                 0.8570                 0.3615
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.7394
 Beta2  Fr= 1--      2.5954                16.5333                 3.4666
 AlphaG Fr= 1--      0.0000                 0.0010                 0.3249
 Gamma2 Fr= 1--     46.2592               -48.5543                30.7523
 Delta2 Fr= 1--     32.2186               -39.8436                16.9581
 Raman1 Fr= 1--      72.671                463.001                230.164
 ROA1   Fr= 1--    5471.876              -5936.207               3494.883
 CID1   Fr= 1--      75.297                -12.821                 15.184
 Raman2 Fr= 1--      31.145                198.400                 41.600
 ROA2   Fr= 1--     852.472               -846.554                602.392
 CID2   Fr= 1--      27.371                 -4.267                 14.481
 Raman3 Fr= 1--      62.289                396.799                 83.199
 ROA3   Fr= 1--    5471.876              -5936.207               3494.883
 CID3   Fr= 1--      87.846                -14.960                 42.006
 RC180  Fr= 1--       0.714                  0.714                 -0.277
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03    -0.04  -0.02  -0.03     0.01   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.07   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.01
    16   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    17   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.02  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.04  -0.02   0.03     0.04   0.03  -0.03     0.00  -0.00   0.00
    24   6    -0.02  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00   0.00
    25   6    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6     0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    27   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    36   1     0.11   0.13   0.01    -0.13  -0.14  -0.02    -0.00  -0.00  -0.00
    37   1     0.15  -0.04  -0.15    -0.17   0.04   0.16     0.00   0.00  -0.00
    38   1     0.27   0.01   0.04    -0.30  -0.02  -0.04    -0.02  -0.00  -0.00
    39   1     0.19   0.25  -0.39    -0.21  -0.28   0.43     0.00   0.00  -0.00
    40   1    -0.02   0.03   0.01     0.02  -0.03  -0.01    -0.14   0.22   0.06
    41   1     0.12   0.05   0.00    -0.14  -0.06  -0.00    -0.00  -0.00  -0.00
    42   1    -0.00   0.04  -0.03     0.00  -0.05   0.04     0.00  -0.00   0.00
    43   1     0.02  -0.03  -0.01    -0.03   0.03   0.02    -0.00   0.00   0.00
    44   1    -0.04  -0.04  -0.11     0.04   0.04   0.12     0.00   0.00   0.01
    45   1     0.02  -0.02  -0.01    -0.02   0.02   0.01    -0.01   0.00   0.00
    46   1     0.00   0.03  -0.02    -0.00  -0.04   0.02    -0.00  -0.00   0.00
    47   1     0.02  -0.02  -0.02    -0.03   0.02   0.02    -0.00   0.00   0.00
    48   1     0.03   0.02  -0.00    -0.03  -0.02   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    50   1    -0.00   0.05   0.03    -0.00   0.05   0.03     0.00  -0.00  -0.00
    51   1     0.14   0.06  -0.00     0.13   0.05  -0.00    -0.02  -0.01   0.00
    52   1     0.03  -0.03   0.02     0.02  -0.03   0.02    -0.02   0.02  -0.01
    53   1     0.00   0.03   0.02     0.00   0.03   0.02    -0.00  -0.01  -0.01
    54   1     0.02  -0.02   0.01     0.02  -0.02   0.01    -0.02   0.02  -0.01
    55   1    -0.04  -0.04   0.12    -0.04  -0.04   0.11     0.02   0.02  -0.05
    56   1     0.31   0.02  -0.04     0.27   0.01  -0.04    -0.08  -0.01   0.01
    57   1     0.21   0.28   0.43     0.19   0.25   0.38     0.00   0.00   0.01
    58   1     0.17  -0.04   0.16     0.15  -0.04   0.15    -0.00   0.00  -0.00
    59   1     0.13   0.14  -0.02     0.11   0.13  -0.01    -0.01  -0.01   0.00
    60   1    -0.02   0.03  -0.01    -0.02   0.03  -0.01    -0.50   0.78  -0.20
    61   1     0.03   0.02   0.00     0.03   0.02   0.00    -0.01  -0.00  -0.00
    62   1     0.02  -0.02   0.02     0.02  -0.02   0.02    -0.01   0.00  -0.01
    63   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
                    181                    182                    183
                      A                      A                      A
 Frequencies --   3128.2902              3132.7690              3132.8393
 Red. masses --      1.0884                 1.0959                 1.0959
 Frc consts  --      6.2753                 6.3371                 6.3373
 IR Inten    --     12.4325                22.4453                25.1824
 RamAct Fr= 1--    175.1070                72.8177                68.2006
  Dep-P Fr= 1--      0.1965                 0.5501                 0.4416
  Dep-U Fr= 1--      0.3284                 0.7097                 0.6127
 Alpha2 Fr= 1--      2.4004                 0.2783                 0.4322
 Beta2  Fr= 1--      9.5842                 8.6134                 6.9642
 AlphaG Fr= 1--      1.0487                 0.1535                 0.2423
 Gamma2 Fr= 1--    -32.2507                14.3083                -0.1701
 Delta2 Fr= 1--    -17.8990                 1.9555                -1.4853
 Raman1 Fr= 1--     700.428                291.271                272.802
 ROA1   Fr= 1--   -3668.832               1436.173                -63.862
 CID1   Fr= 1--      -5.238                  4.931                 -0.234
 Raman2 Fr= 1--     115.010                103.361                 83.571
 ROA2   Fr= 1--    -630.825                327.755                  7.799
 CID2   Fr= 1--      -5.485                  3.171                  0.093
 Raman3 Fr= 1--     230.021                206.721                167.142
 ROA3   Fr= 1--   -3668.832               1436.173                -63.862
 CID3   Fr= 1--     -15.950                  6.947                 -0.382
 RC180  Fr= 1--      -0.343                  0.419                  0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02   0.01   0.01     0.00   0.00   0.00
     2   6    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6     0.00   0.00  -0.00     0.02   0.02  -0.08     0.00   0.00  -0.01
    16   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   6     0.01   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    24   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    25   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.02  -0.02  -0.08
    27   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   9     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.08   0.01
    37   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.04  -0.01  -0.04
    38   1    -0.08  -0.01  -0.01    -0.02  -0.00  -0.00     0.15   0.01   0.02
    39   1     0.00   0.00  -0.01    -0.00  -0.01   0.01     0.04   0.05  -0.08
    40   1    -0.50   0.78   0.20    -0.00   0.00   0.00     0.03  -0.04  -0.01
    41   1    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    42   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    43   1    -0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    44   1     0.02   0.02   0.05    -0.04  -0.03  -0.10     0.31   0.28   0.81
    45   1    -0.02   0.02   0.01     0.02  -0.02  -0.01    -0.13   0.14   0.06
    46   1    -0.00  -0.01   0.01     0.00   0.02  -0.02    -0.00  -0.19   0.14
    47   1    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
    48   1    -0.01  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    50   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.00   0.00
    51   1     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    52   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   1     0.00   0.00   0.00     0.00   0.19   0.14     0.00   0.02   0.02
    54   1     0.01  -0.01   0.00     0.13  -0.14   0.06     0.02  -0.02   0.01
    55   1    -0.01  -0.01   0.02    -0.32  -0.28   0.81    -0.04  -0.03   0.10
    56   1     0.02   0.00  -0.00    -0.15  -0.01   0.02    -0.02  -0.00   0.00
    57   1    -0.00  -0.00  -0.00    -0.04  -0.05  -0.08    -0.00  -0.01  -0.01
    58   1     0.00  -0.00   0.00    -0.04   0.01  -0.04    -0.01   0.00  -0.01
    59   1     0.00   0.00  -0.00    -0.08  -0.08   0.01    -0.01  -0.01   0.00
    60   1     0.14  -0.22   0.06    -0.02   0.04  -0.01    -0.00   0.01  -0.00
    61   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    62   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    63   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number 29 and mass  62.92960
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  9 and mass  18.99840
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  8 and mass  15.99491
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  9 and mass  18.99840
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  9 and mass  18.99840
 Atom    33 has atomic number  9 and mass  18.99840
 Atom    34 has atomic number  9 and mass  18.99840
 Atom    35 has atomic number  9 and mass  18.99840
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Atom    48 has atomic number  1 and mass   1.00783
 Atom    49 has atomic number  1 and mass   1.00783
 Atom    50 has atomic number  1 and mass   1.00783
 Atom    51 has atomic number  1 and mass   1.00783
 Atom    52 has atomic number  1 and mass   1.00783
 Atom    53 has atomic number  1 and mass   1.00783
 Atom    54 has atomic number  1 and mass   1.00783
 Atom    55 has atomic number  1 and mass   1.00783
 Atom    56 has atomic number  1 and mass   1.00783
 Atom    57 has atomic number  1 and mass   1.00783
 Atom    58 has atomic number  1 and mass   1.00783
 Atom    59 has atomic number  1 and mass   1.00783
 Atom    60 has atomic number  1 and mass   1.00783
 Atom    61 has atomic number  1 and mass   1.00783
 Atom    62 has atomic number  1 and mass   1.00783
 Atom    63 has atomic number  1 and mass   1.00783
 Molecular mass:   557.11878 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  9988.68466********************
           X            0.99872   0.05048   0.00000
           Y           -0.05048   0.99872  -0.00000
           Z           -0.00000  -0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.00867     0.00313     0.00254
 Rotational constants (GHZ):           0.18068     0.06517     0.05287
 Zero-point vibrational energy    1287395.3 (Joules/Mol)
                                  307.69487 (Kcal/Mol)
 Warning -- explicit consideration of  61 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     11.19    19.28    41.52    48.33    57.87
          (Kelvin)             66.07    74.10    88.90   135.81   143.67
                              162.11   167.21   168.23   192.21   203.40
                              232.90   243.30   248.24   272.76   273.12
                              297.95   306.19   312.15   321.87   328.24
                              328.96   335.16   340.46   362.38   367.88
                              381.15   388.77   396.44   410.95   416.14
                              444.28   445.07   463.84   464.39   531.23
                              551.37   566.93   567.78   612.31   642.10
                              643.09   655.36   705.82   721.32   723.48
                              745.31   746.02   754.08   767.24   770.14
                              816.04   821.29   853.56   855.22   873.63
                              892.00   943.47   946.09  1001.55  1008.68
                             1039.56  1040.44  1076.79  1077.08  1091.04
                             1094.06  1180.40  1182.92  1200.47  1200.79
                             1246.11  1246.27  1271.32  1271.60  1301.54
                             1301.66  1344.39  1344.43  1372.44  1372.45
                             1383.20  1383.23  1408.19  1408.27  1470.69
                             1470.72  1482.41  1482.56  1562.01  1562.83
                             1597.54  1597.59  1614.16  1615.22  1631.25
                             1631.54  1665.10  1665.36  1690.51  1690.91
                             1699.20  1699.54  1733.31  1736.33  1745.20
                             1745.71  1767.58  1768.35  1797.64  1800.97
                             1805.11  1806.80  1813.90  1814.33  1864.15
                             1865.74  1892.96  1894.03  1914.00  1914.14
                             1950.99  1952.19  2026.63  2026.79  2041.51
                             2041.54  2056.63  2056.80  2098.31  2117.18
                             2136.69  2136.75  2137.56  2137.61  2148.93
                             2149.05  2157.65  2157.85  2162.62  2162.75
                             2173.20  2173.28  2185.62  2185.67  2193.75
                             2193.79  2226.80  2243.97  2399.29  2419.89
                             4367.96  4367.99  4374.62  4374.67  4379.15
                             4379.31  4405.93  4405.99  4419.38  4419.56
                             4441.62  4441.64  4451.02  4451.08  4452.65
                             4452.67  4467.30  4467.40  4470.82  4470.94
                             4477.79  4477.90  4482.63  4482.74  4500.74
                             4500.91  4507.36  4507.46
 
 Zero-point correction=                           0.490343 (Hartree/Particle)
 Thermal correction to Energy=                    0.524989
 Thermal correction to Enthalpy=                  0.525933
 Thermal correction to Gibbs Free Energy=         0.421795
 Sum of electronic and zero-point Energies=          -3472.400674
 Sum of electronic and thermal Energies=             -3472.366029
 Sum of electronic and thermal Enthalpies=           -3472.365084
 Sum of electronic and thermal Free Energies=        -3472.469223
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  329.435            132.643            219.177
 Electronic               0.000              0.000              1.377
 Translational            0.889              2.981             44.838
 Rotational               0.889              2.981             37.488
 Vibrational            327.658            126.681            135.474
 Vibration     1          0.593              1.987              8.510
 Vibration     2          0.593              1.987              7.430
 Vibration     3          0.593              1.984              5.906
 Vibration     4          0.594              1.983              5.605
 Vibration     5          0.594              1.981              5.248
 Vibration     6          0.595              1.979              4.986
 Vibration     7          0.596              1.977              4.759
 Vibration     8          0.597              1.973              4.399
 Vibration     9          0.603              1.953              3.567
 Vibration    10          0.604              1.949              3.457
 Vibration    11          0.607              1.939              3.222
 Vibration    12          0.608              1.936              3.162
 Vibration    13          0.608              1.935              3.151
 Vibration    14          0.613              1.920              2.894
 Vibration    15          0.615              1.912              2.785
 Vibration    16          0.622              1.889              2.528
 Vibration    17          0.625              1.881              2.445
 Vibration    18          0.626              1.876              2.408
 Vibration    19          0.633              1.854              2.232
 Vibration    20          0.633              1.854              2.230
 Vibration    21          0.641              1.830              2.069
 Vibration    22          0.644              1.821              2.019
 Vibration    23          0.646              1.815              1.984
 Vibration    24          0.649              1.805              1.929
 Vibration    25          0.651              1.798              1.894
 Vibration    26          0.651              1.797              1.890
 Vibration    27          0.654              1.791              1.856
 Vibration    28          0.656              1.785              1.828
 Vibration    29          0.664              1.760              1.717
 Vibration    30          0.666              1.753              1.691
 Vibration    31          0.671              1.737              1.629
 Vibration    32          0.674              1.728              1.595
 Vibration    33          0.677              1.719              1.561
 Vibration    34          0.683              1.700              1.500
 Vibration    35          0.686              1.694              1.478
 Vibration    36          0.698              1.657              1.369
 Vibration    37          0.699              1.656              1.366
 Vibration    38          0.707              1.631              1.298
 Vibration    39          0.708              1.630              1.296
 Vibration    40          0.742              1.535              1.083
 Vibration    41          0.752              1.506              1.026
 Vibration    42          0.761              1.483              0.985
 Vibration    43          0.762              1.482              0.983
 Vibration    44          0.787              1.415              0.873
 Vibration    45          0.806              1.369              0.807
 Vibration    46          0.806              1.368              0.805
 Vibration    47          0.814              1.349              0.779
 Vibration    48          0.846              1.271              0.682
 Vibration    49          0.857              1.247              0.655
 Vibration    50          0.858              1.244              0.651
 Vibration    51          0.873              1.210              0.615
 Vibration    52          0.874              1.209              0.613
 Vibration    53          0.879              1.197              0.600
 Vibration    54          0.888              1.176              0.580
 Vibration    55          0.890              1.172              0.576
 Vibration    56          0.923              1.102              0.510
 Vibration    57          0.927              1.094              0.503
 Vibration    58          0.951              1.046              0.461
 Vibration    59          0.952              1.044              0.459
 Vibration    60          0.966              1.017              0.437
 Vibration    61          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.973115-194       -194.011836       -446.728761
 Total V=0       0.338908D+32         31.530082         72.600697
 Vib (Bot)       0.270639-210       -210.567609       -484.849838
 Vib (Bot)    1  0.266391D+02          1.425520          3.282381
 Vib (Bot)    2  0.154648D+02          1.189343          2.738564
 Vib (Bot)    3  0.717443D+01          0.855788          1.970524
 Vib (Bot)    4  0.616249D+01          0.789756          1.818481
 Vib (Bot)    5  0.514436D+01          0.711331          1.637900
 Vib (Bot)    6  0.450350D+01          0.653550          1.504854
 Vib (Bot)    7  0.401348D+01          0.603521          1.389659
 Vib (Bot)    8  0.334155D+01          0.523948          1.206434
 Vib (Bot)    9  0.217642D+01          0.337743          0.777682
 Vib (Bot)   10  0.205529D+01          0.312873          0.720416
 Vib (Bot)   11  0.181669D+01          0.259281          0.597016
 Vib (Bot)   12  0.175991D+01          0.245490          0.565261
 Vib (Bot)   13  0.174894D+01          0.242775          0.559010
 Vib (Bot)   14  0.152459D+01          0.183154          0.421728
 Vib (Bot)   15  0.143777D+01          0.157689          0.363093
 Vib (Bot)   16  0.124816D+01          0.096271          0.221672
 Vib (Bot)   17  0.119209D+01          0.076308          0.175706
 Vib (Bot)   18  0.116703D+01          0.067083          0.154464
 Vib (Bot)   19  0.105589D+01          0.023619          0.054386
 Vib (Bot)   20  0.105440D+01          0.023006          0.052974
 Vib (Bot)   21  0.960208D+00         -0.017635         -0.040606
 Vib (Bot)   22  0.932220D+00         -0.030482         -0.070186
 Vib (Bot)   23  0.912882D+00         -0.039585         -0.091149
 Vib (Bot)   24  0.882800D+00         -0.054138         -0.124657
 Vib (Bot)   25  0.864020D+00         -0.063476         -0.146159
 Vib (Bot)   26  0.861955D+00         -0.064516         -0.148552
 Vib (Bot)   27  0.844409D+00         -0.073447         -0.169119
 Vib (Bot)   28  0.829908D+00         -0.080970         -0.186441
 Vib (Bot)   29  0.774217D+00         -0.111138         -0.255904
 Vib (Bot)   30  0.761236D+00         -0.118481         -0.272812
 Vib (Bot)   31  0.731399D+00         -0.135846         -0.312796
 Vib (Bot)   32  0.715162D+00         -0.145595         -0.335246
 Vib (Bot)   33  0.699387D+00         -0.155282         -0.357551
 Vib (Bot)   34  0.671115D+00         -0.173203         -0.398815
 Vib (Bot)   35  0.661445D+00         -0.179506         -0.413329
 Vib (Bot)   36  0.612792D+00         -0.212687         -0.489730
 Vib (Bot)   37  0.611521D+00         -0.213588         -0.491806
 Vib (Bot)   38  0.582272D+00         -0.234874         -0.540818
 Vib (Bot)   39  0.581444D+00         -0.235492         -0.542241
 Vib (Bot)   40  0.493352D+00         -0.306843         -0.706531
 Vib (Bot)   41  0.470743D+00         -0.327216         -0.753442
 Vib (Bot)   42  0.454304D+00         -0.342654         -0.788990
 Vib (Bot)   43  0.453428D+00         -0.343492         -0.790918
 Vib (Bot)   44  0.410826D+00         -0.386342         -0.889585
 Vib (Bot)   45  0.385412D+00         -0.414075         -0.953442
 Vib (Bot)   46  0.384606D+00         -0.414984         -0.955537
 Vib (Bot)   47  0.374795D+00         -0.426206         -0.981376
 Vib (Bot)   48  0.337821D+00         -0.471313         -1.085239
 Vib (Bot)   49  0.327434D+00         -0.484876         -1.116469
 Vib (Bot)   50  0.326024D+00         -0.486751         -1.120785
 Vib (Bot)   51  0.312164D+00         -0.505617         -1.164227
 Vib (Bot)   52  0.311728D+00         -0.506224         -1.165624
 Vib (Bot)   53  0.306812D+00         -0.513127         -1.181519
 Vib (Bot)   54  0.298995D+00         -0.524335         -1.207327
 Vib (Bot)   55  0.297310D+00         -0.526790         -1.212980
 Vib (Bot)   56  0.272111D+00         -0.565255         -1.301547
 Vib (Bot)   57  0.269400D+00         -0.569602         -1.311556
 Vib (Bot)   58  0.253438D+00         -0.596128         -1.372636
 Vib (Bot)   59  0.252649D+00         -0.597483         -1.375755
 Vib (Bot)   60  0.244088D+00         -0.612453         -1.410225
 Vib (Bot)   61  0.235892D+00         -0.627287         -1.444381
 Vib (V=0)       0.942560D+15         14.974309         34.479621
 Vib (V=0)    1  0.271438D+02          1.433671          3.301149
 Vib (V=0)    2  0.159728D+02          1.203382          2.770890
 Vib (V=0)    3  0.769184D+01          0.886030          2.040159
 Vib (V=0)    4  0.668274D+01          0.824955          1.899528
 Vib (V=0)    5  0.566860D+01          0.753476          1.734942
 Vib (V=0)    6  0.503117D+01          0.701669          1.615652
 Vib (V=0)    7  0.454450D+01          0.657487          1.513919
 Vib (V=0)    8  0.387875D+01          0.588692          1.355513
 Vib (V=0)    9  0.273312D+01          0.436658          1.005443
 Vib (V=0)   10  0.261523D+01          0.417510          0.961353
 Vib (V=0)   11  0.238424D+01          0.377350          0.868881
 Vib (V=0)   12  0.232955D+01          0.367273          0.845677
 Vib (V=0)   13  0.231901D+01          0.365302          0.841140
 Vib (V=0)   14  0.210449D+01          0.323147          0.744073
 Vib (V=0)   15  0.202223D+01          0.305830          0.704201
 Vib (V=0)   16  0.184458D+01          0.265899          0.612254
 Vib (V=0)   17  0.179270D+01          0.253508          0.583723
 Vib (V=0)   18  0.176963D+01          0.247883          0.570772
 Vib (V=0)   19  0.166829D+01          0.222272          0.511801
 Vib (V=0)   20  0.166695D+01          0.221922          0.510994
 Vib (V=0)   21  0.158259D+01          0.199368          0.459062
 Vib (V=0)   22  0.155784D+01          0.192524          0.443303
 Vib (V=0)   23  0.154084D+01          0.187758          0.432329
 Vib (V=0)   24  0.151456D+01          0.180287          0.415126
 Vib (V=0)   25  0.149826D+01          0.175588          0.404307
 Vib (V=0)   26  0.149648D+01          0.175070          0.403114
 Vib (V=0)   27  0.148134D+01          0.170654          0.392946
 Vib (V=0)   28  0.146889D+01          0.166989          0.384507
 Vib (V=0)   29  0.142164D+01          0.152788          0.351808
 Vib (V=0)   30  0.141076D+01          0.149452          0.344127
 Vib (V=0)   31  0.138597D+01          0.141754          0.326401
 Vib (V=0)   32  0.137261D+01          0.137549          0.316718
 Vib (V=0)   33  0.135973D+01          0.133454          0.307289
 Vib (V=0)   34  0.133690D+01          0.126098          0.290351
 Vib (V=0)   35  0.132916D+01          0.123578          0.284548
 Vib (V=0)   36  0.129089D+01          0.110891          0.255335
 Vib (V=0)   37  0.128991D+01          0.110559          0.254573
 Vib (V=0)   38  0.126749D+01          0.102944          0.237038
 Vib (V=0)   39  0.126686D+01          0.102729          0.236543
 Vib (V=0)   40  0.120242D+01          0.080057          0.184338
 Vib (V=0)   41  0.118673D+01          0.074352          0.171202
 Vib (V=0)   42  0.117557D+01          0.070248          0.161751
 Vib (V=0)   43  0.117498D+01          0.070030          0.161251
 Vib (V=0)   44  0.114713D+01          0.059613          0.137264
 Vib (V=0)   45  0.113130D+01          0.053579          0.123369
 Vib (V=0)   46  0.113081D+01          0.053390          0.122934
 Vib (V=0)   47  0.112488D+01          0.051105          0.117674
 Vib (V=0)   48  0.110343D+01          0.042743          0.098420
 Vib (V=0)   49  0.109767D+01          0.040473          0.093192
 Vib (V=0)   50  0.109690D+01          0.040168          0.092489
 Vib (V=0)   51  0.108945D+01          0.037206          0.085669
 Vib (V=0)   52  0.108922D+01          0.037114          0.085457
 Vib (V=0)   53  0.108663D+01          0.036081          0.083080
 Vib (V=0)   54  0.108258D+01          0.034460          0.079346
 Vib (V=0)   55  0.108172D+01          0.034113          0.078548
 Vib (V=0)   56  0.106925D+01          0.029079          0.066956
 Vib (V=0)   57  0.106796D+01          0.028554          0.065749
 Vib (V=0)   58  0.106056D+01          0.025536          0.058800
 Vib (V=0)   59  0.106021D+01          0.025391          0.058464
 Vib (V=0)   60  0.105640D+01          0.023828          0.054865
 Vib (V=0)   61  0.105285D+01          0.022367          0.051502
 Electronic      0.200000D+01          0.301030          0.693147
 Translational   0.516863D+09          8.713376         20.063289
 Rotational      0.347830D+08          7.541368         17.364641
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007018    0.000025545   -0.000029899
      2        6           0.000019616    0.000000012    0.000011579
      3        6          -0.000012171    0.000012788    0.000002471
      4        6          -0.000012525    0.000000822   -0.000004275
      5        6           0.000003012   -0.000018180    0.000018963
      6        6          -0.000009664   -0.000021720    0.000007303
      7        6           0.000046203    0.000045895    0.000021747
      8        8           0.000008163    0.000006475    0.000003022
      9       29          -0.000013591    0.000006867   -0.000003870
     10        8           0.000007086   -0.000005854   -0.000006343
     11        6           0.000000855   -0.000008847   -0.000004225
     12        6          -0.000004459   -0.000005579    0.000005324
     13        9           0.000005075    0.000003561    0.000005250
     14        6           0.000010323   -0.000010859   -0.000013835
     15        6          -0.000008818   -0.000014399   -0.000015120
     16        6          -0.000008396    0.000005057    0.000002058
     17        8           0.000000253   -0.000001503   -0.000000038
     18        6           0.000008945    0.000010944   -0.000007448
     19        6          -0.000008639    0.000014764   -0.000024171
     20        6          -0.000063661   -0.000029029    0.000041858
     21        6           0.000016492   -0.000001263   -0.000018688
     22        6          -0.000001210   -0.000010534    0.000010944
     23        6          -0.000000318   -0.000020940   -0.000005886
     24        6           0.000005109    0.000015959    0.000001782
     25        6           0.000007816    0.000004765    0.000006723
     26        6           0.000008047    0.000019992   -0.000014156
     27        6           0.000000585    0.000002025    0.000000457
     28        6           0.000009173   -0.000006560   -0.000005572
     29        6           0.000008166    0.000005796    0.000002185
     30        9          -0.000009693   -0.000004589    0.000007224
     31        8           0.000003930   -0.000008862    0.000001887
     32        9          -0.000009771   -0.000001854   -0.000008217
     33        9          -0.000007992   -0.000004025   -0.000006191
     34        9          -0.000000695    0.000003365   -0.000005930
     35        9           0.000004409    0.000008044   -0.000002848
     36        1           0.000001014   -0.000004542    0.000018316
     37        1           0.000000242    0.000000864    0.000000415
     38        1           0.000000981    0.000000217    0.000008029
     39        1          -0.000003235    0.000011270    0.000004033
     40        1           0.000006643    0.000022186   -0.000004427
     41        1          -0.000000351    0.000004301   -0.000010720
     42        1           0.000002274   -0.000001022   -0.000016082
     43        1          -0.000000530   -0.000003349   -0.000001086
     44        1           0.000007401    0.000007212    0.000006876
     45        1           0.000009039    0.000002340   -0.000004436
     46        1           0.000002984   -0.000006544   -0.000001427
     47        1          -0.000000008    0.000001814   -0.000003067
     48        1          -0.000005507   -0.000022997    0.000005860
     49        1           0.000013476   -0.000013260    0.000010627
     50        1           0.000003154   -0.000009928   -0.000002268
     51        1          -0.000001584    0.000001961    0.000004241
     52        1           0.000000913    0.000002247   -0.000002296
     53        1          -0.000000358    0.000003558   -0.000003546
     54        1          -0.000002902   -0.000004101   -0.000000336
     55        1          -0.000024121   -0.000002750    0.000007105
     56        1          -0.000002878   -0.000006679   -0.000002635
     57        1           0.000005118   -0.000002410    0.000000233
     58        1           0.000001513    0.000001133   -0.000004478
     59        1           0.000001705   -0.000006738    0.000003842
     60        1          -0.000000621   -0.000010437   -0.000007037
     61        1          -0.000009592    0.000011347    0.000007362
     62        1           0.000000278   -0.000004139   -0.000000949
     63        1          -0.000013719    0.000010367    0.000013783
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063661 RMS     0.000011827
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.439428D+03  0.342641D+02  0.329874D-02
      2   0.342641D+02  0.339990D+03 -0.216315D-02
      3   0.329874D-02 -0.216315D-02  0.253175D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.387605D+01  0.215360D+02  0.378943D-01
      2   0.745583D+02  0.514513D+02  0.434716D-01
      3   0.642605D+00 -0.990093D-02 -0.465935D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.246932D+00  0.225751D-01 -0.360115D+01
      2  -0.167454D+00  0.216617D-01 -0.109345D+03
      3  -0.794785D-01 -0.442368D-01  0.112946D+03
      4  -0.232239D-01 -0.547829D-01  0.866431D+02
      5   0.138916D+03  0.887383D+02  0.664689D-01
      6   0.292685D+02  0.482937D+02 -0.108399D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.860434D+01 -0.934240D+00  0.177159D+01  0.178002D+00  0.215736D+01
      2  -0.934240D+00  0.616916D+00  0.471834D+00  0.215736D+01 -0.986071D+00
      3   0.177159D+01  0.471834D+00  0.185417D+01 -0.233205D+00  0.278077D+00
                 6             7             8             9            10 
      1  -0.233205D+00 -0.243306D+01 -0.891461D+00  0.231483D+01 -0.379197D+01
      2   0.278077D+00 -0.891461D+00 -0.112828D+01  0.331423D+01  0.359645D-01
      3   0.338009D+01  0.231483D+01  0.331423D+01  0.104054D+00 -0.220553D+00
                11            12            13            14            15 
      1   0.359645D-01 -0.220553D+00  0.134459D+01 -0.433796D+01  0.124509D+01
      2  -0.340884D+01  0.957856D+00 -0.433796D+01 -0.578419D+00 -0.203519D+01
      3   0.957856D+00 -0.200188D+01  0.124509D+01 -0.203519D+01 -0.443504D+01
                16            17            18            19            20 
      1   0.128112D+01  0.128833D+01 -0.436855D+01  0.262016D+02  0.686847D+01
      2   0.128833D+01  0.712729D-01 -0.298648D+01  0.686847D+01  0.108689D+02
      3  -0.436855D+01 -0.298648D+01  0.429234D+00  0.235833D+00  0.103477D+01
                21            22            23            24            25 
      1   0.235833D+00  0.963832D+01  0.642306D+01 -0.175891D+00 -0.234035D+01
      2   0.103477D+01  0.642306D+01  0.130790D+02  0.188463D+01  0.173297D+00
      3   0.137084D+01 -0.175891D+00  0.188463D+01  0.146448D+01  0.384859D+01
                26            27            28            29            30 
      1   0.173297D+00  0.384859D+01 -0.346794D+02  0.629652D+00 -0.557521D+00
      2   0.164017D+01  0.188007D+01  0.629652D+00  0.779612D+01  0.378500D+00
      3   0.188007D+01  0.817362D+00 -0.557521D+00  0.378500D+00 -0.219992D+00
                31            32            33            34            35 
      1   0.961679D+01  0.239991D+01 -0.720974D+00  0.344746D+01 -0.126296D+01
      2   0.239991D+01  0.463165D+01  0.158516D+00 -0.126296D+01  0.918608D+00
      3  -0.720974D+00  0.158516D+00  0.194119D+00  0.199207D+01  0.265769D+01
                36            37            38            39            40 
      1   0.199207D+01  0.100876D+02  0.307959D+01 -0.470937D+00  0.152737D+02
      2   0.265769D+01  0.307959D+01  0.411854D+00  0.211201D+01  0.378285D+01
      3   0.896404D+00 -0.470937D+00  0.211201D+01 -0.335037D+01  0.262018D+01
                41            42            43            44            45 
      1   0.378285D+01  0.262018D+01  0.158263D+01  0.598728D+01 -0.509914D+01
      2  -0.104988D+01 -0.183044D+01  0.598728D+01 -0.272817D+00 -0.144772D+01
      3  -0.183044D+01  0.175004D+01 -0.509914D+01 -0.144772D+01  0.261165D+01
                46            47            48            49            50 
      1  -0.179127D+01 -0.407786D+01  0.151606D+01 -0.679978D+01 -0.591842D+01
      2  -0.407786D+01 -0.377351D+01 -0.326141D+00 -0.591842D+01  0.141595D+00
      3   0.151606D+01 -0.326141D+00  0.311157D+01  0.645059D+00  0.224947D+01
                51            52            53            54            55 
      1   0.645059D+00 -0.396987D+01 -0.341508D+01  0.457142D+01 -0.232295D+01
      2   0.224947D+01 -0.341508D+01 -0.371649D+00 -0.153506D+00 -0.538217D+01
      3  -0.815411D+00  0.457142D+01 -0.153506D+00 -0.210110D+01  0.153596D+01
                56            57            58            59            60 
      1  -0.538217D+01  0.153596D+01 -0.102812D+02  0.383714D+00 -0.200315D+01
      2  -0.300393D+00 -0.171952D+01  0.383714D+00  0.155271D+01  0.312238D+01
      3  -0.171952D+01  0.413050D+01 -0.200315D+01  0.312238D+01  0.285373D+01
                61            62            63            64            65 
      1   0.480910D+01 -0.105806D+01  0.485836D+01  0.619692D+02  0.504290D+01
      2  -0.105806D+01  0.331397D+01  0.260096D+01  0.504290D+01 -0.804362D+01
      3   0.485836D+01  0.260096D+01 -0.160049D+01  0.116360D+01 -0.123681D+01
                66            67            68            69            70 
      1   0.116360D+01  0.170380D+02  0.314211D+01  0.108197D+01  0.127950D+01
      2  -0.123681D+01  0.314211D+01  0.570297D+01  0.545975D+00 -0.838513D+00
      3  -0.300576D+00  0.108197D+01  0.545975D+00  0.821250D+00 -0.615636D+00
                71            72            73            74            75 
      1  -0.838513D+00 -0.615636D+00  0.364640D-01  0.716800D-02 -0.155375D+00
      2  -0.312018D+00  0.112438D+01  0.716800D-02 -0.426554D-03 -0.491433D+00
      3   0.112438D+01  0.287314D+00 -0.155375D+00 -0.491433D+00  0.155752D-04
                76            77            78            79            80 
      1  -0.121295D+00  0.889001D-02 -0.364027D+01  0.259658D+02  0.228846D+01
      2   0.889001D-02  0.328143D-02  0.214685D+00  0.228846D+01  0.801894D-01
      3  -0.364027D+01  0.214685D+00  0.130696D-02 -0.112762D-02  0.165118D-02
                81            82            83            84            85 
      1  -0.112762D-02  0.478275D+02 -0.859410D+01 -0.211625D+01 -0.310422D+02
      2   0.165118D-02 -0.859410D+01 -0.479360D+01 -0.984766D+00  0.317894D+01
      3  -0.255678D+00 -0.211625D+01 -0.984766D+00 -0.333857D+00  0.146725D+01
                86            87            88            89            90 
      1   0.317894D+01  0.146725D+01 -0.150682D+02  0.233308D+00 -0.136043D+01
      2  -0.202193D+01 -0.494814D-01  0.233308D+00  0.471302D+00 -0.105337D+01
      3  -0.494814D-01 -0.135073D+00 -0.136043D+01 -0.105337D+01 -0.226605D+00
                91            92            93            94            95 
      1  -0.363115D+02  0.255780D+01  0.104539D+01 -0.153036D+02 -0.173274D+02
      2   0.255780D+01 -0.278548D+01 -0.954376D-01 -0.173274D+02 -0.246774D+02
      3   0.104539D+01 -0.954376D-01 -0.979538D+00 -0.218369D+01 -0.302727D+01
                96            97            98            99           100 
      1  -0.218369D+01 -0.619837D+01 -0.273051D+01 -0.180871D+01  0.251647D+01
      2  -0.302727D+01 -0.273051D+01 -0.318729D+01 -0.474767D+01 -0.490242D+01
      3  -0.248070D+01 -0.180871D+01 -0.474767D+01 -0.181138D+01 -0.291772D+00
               101           102           103           104           105 
      1  -0.490242D+01 -0.291772D+00 -0.351198D+01  0.111981D+02  0.191046D+01
      2  -0.391894D+01 -0.285613D+00  0.111981D+02  0.455922D+01  0.668066D+00
      3  -0.285613D+00 -0.134576D+01  0.191046D+01  0.668066D+00 -0.544984D+00
               106           107           108           109           110 
      1   0.540114D+01  0.169061D+01 -0.104396D+01  0.347723D+01  0.857113D+00
      2   0.169061D+01 -0.104695D+01  0.111450D+01  0.857113D+00  0.413011D+01
      3  -0.104396D+01  0.111450D+01 -0.389229D+00  0.173221D+01 -0.309626D-01
               111           112           113           114           115 
      1   0.173221D+01 -0.226139D+01 -0.518589D+00 -0.670178D+00  0.180962D+01
      2  -0.309626D-01 -0.518589D+00 -0.475959D+01  0.117222D+01  0.477959D+00
      3   0.989032D+00 -0.670178D+00  0.117222D+01 -0.580837D+00  0.179429D+01
               116           117           118           119           120 
      1   0.477959D+00  0.179429D+01 -0.278265D+01 -0.488556D+01  0.400379D+00
      2   0.435093D+01 -0.153649D+01 -0.488556D+01 -0.159191D+01 -0.156596D+01
      3  -0.153649D+01  0.373545D+01  0.400379D+00 -0.156596D+01  0.309833D+01
               121           122           123           124           125 
      1  -0.402872D+01 -0.159863D+01 -0.154882D+01  0.723214D+00 -0.175698D+01
      2  -0.159863D+01  0.441765D+00  0.189069D+01 -0.175698D+01  0.204513D+01
      3  -0.154882D+01  0.189069D+01 -0.300964D+00  0.284888D+01 -0.618769D+00
               126           127           128           129           130 
      1   0.284888D+01  0.222622D+01  0.475846D+01 -0.631133D+00  0.813514D+01
      2  -0.618769D+00  0.475846D+01 -0.107947D+00  0.169515D+01 -0.165575D+01
      3  -0.346244D+01 -0.631133D+00  0.169515D+01 -0.243791D+01  0.188446D+01
               131           132           133           134           135 
      1  -0.165575D+01  0.188446D+01 -0.173255D+01  0.869890D+00 -0.354890D+01
      2  -0.196484D+01 -0.292614D+01  0.869890D+00 -0.304076D+01 -0.292443D+01
      3  -0.292614D+01 -0.252256D+01 -0.354890D+01 -0.292443D+01  0.131726D+01
               136           137           138           139           140 
      1   0.301704D+01  0.402810D+01 -0.119907D+01  0.464958D+01 -0.155530D+01
      2   0.402810D+01 -0.451800D+00  0.180263D+01 -0.155530D+01 -0.122800D+01
      3  -0.119907D+01  0.180263D+01 -0.247517D+01  0.156833D+01 -0.393742D+01
               141           142           143           144           145 
      1   0.156833D+01 -0.140033D+01  0.105231D+01 -0.263984D+01 -0.620216D+02
      2  -0.393742D+01  0.105231D+01 -0.289879D+01 -0.223821D+01 -0.505241D+01
      3  -0.218118D+01 -0.263984D+01 -0.223821D+01  0.139358D+01  0.118876D+01
               146           147           148           149           150 
      1  -0.505241D+01  0.118876D+01 -0.168850D+02 -0.313700D+01  0.108965D+01
      2   0.804124D+01 -0.124032D+01 -0.313700D+01 -0.569493D+01  0.549300D+00
      3  -0.124032D+01  0.301813D+00  0.108965D+01  0.549300D+00 -0.821246D+00
               151           152           153           154           155 
      1   0.130145D+01 -0.835550D+00  0.615423D+00  0.346339D+02 -0.613140D+00
      2  -0.835550D+00 -0.302408D+00 -0.112369D+01 -0.613140D+00 -0.778795D+01
      3   0.615423D+00 -0.112369D+01  0.291297D+00 -0.570037D+00  0.377139D+00
               156           157           158           159           160 
      1  -0.570037D+00 -0.964151D+01 -0.240852D+01 -0.722399D+00  0.350368D+01
      2   0.377139D+00 -0.240852D+01 -0.464771D+01  0.155626D+00 -0.128122D+01
      3   0.222657D+00 -0.722399D+00  0.155626D+00 -0.196322D+00 -0.198321D+01
               161           162           163           164           165 
      1  -0.128122D+01 -0.198321D+01 -0.100885D+02 -0.308604D+01 -0.472706D+00
      2   0.911160D+00 -0.265409D+01 -0.308604D+01 -0.413798D+00  0.211035D+01
      3  -0.265409D+01  0.894722D+00 -0.472706D+00  0.211035D+01  0.334025D+01
               166           167           168           169           170 
      1  -0.152734D+02 -0.378110D+01  0.261890D+01  0.154413D+01  0.600068D+01
      2  -0.378110D+01  0.105089D+01 -0.182851D+01  0.600068D+01 -0.265631D+00
      3   0.261890D+01 -0.182851D+01 -0.173914D+01  0.508964D+01  0.145822D+01
               171           172           173           174           175 
      1   0.508964D+01  0.231341D+01  0.538971D+01  0.154684D+01  0.102873D+02
      2   0.145822D+01  0.538971D+01  0.307612D+00 -0.171157D+01 -0.382663D+00
      3   0.262902D+01  0.154684D+01 -0.171157D+01 -0.411915D+01 -0.198837D+01
               176           177           178           179           180 
      1  -0.382663D+00 -0.198837D+01  0.482476D+01 -0.104806D+01 -0.484841D+01
      2  -0.155104D+01  0.311746D+01 -0.104806D+01  0.331190D+01 -0.261203D+01
      3   0.311746D+01 -0.286972D+01 -0.484841D+01 -0.261203D+01 -0.161382D+01
               181           182           183           184           185 
      1   0.379298D+01 -0.470562D-01 -0.228245D+00 -0.136608D+01  0.433670D+01
      2  -0.470562D-01  0.339739D+01  0.954434D+00  0.433670D+01  0.574119D+00
      3  -0.228245D+00  0.954434D+00  0.199699D+01  0.123872D+01 -0.202660D+01
               186           187           188           189           190 
      1   0.123872D+01  0.127229D+01  0.128616D+01  0.436439D+01 -0.261874D+02
      2  -0.202660D+01  0.128616D+01  0.849382D-01  0.299001D+01 -0.685437D+01
      3   0.443994D+01  0.436439D+01  0.299001D+01  0.440986D+00  0.233073D+00
               191           192           193           194           195 
      1  -0.685437D+01  0.233073D+00 -0.965375D+01 -0.640725D+01 -0.179875D+00
      2  -0.108653D+02  0.102950D+01 -0.640725D+01 -0.130749D+02  0.188167D+01
      3   0.102950D+01 -0.136721D+01 -0.179875D+00  0.188167D+01 -0.146223D+01
               196           197           198           199           200 
      1  -0.233536D+01  0.146485D+00 -0.383453D+01  0.859716D+01  0.936104D+00
      2   0.146485D+00  0.161054D+01 -0.186878D+01  0.936104D+00 -0.619072D+00
      3  -0.383453D+01 -0.186878D+01  0.808571D+00  0.180235D+01  0.490885D+00
               201           202           203           204           205 
      1   0.180235D+01 -0.179639D+00 -0.216488D+01 -0.206568D+00 -0.239961D+01
      2   0.490885D+00 -0.216488D+01  0.975362D+00  0.289070D+00 -0.873003D+00
      3  -0.187633D+01 -0.206568D+00  0.289070D+00 -0.341532D+01 -0.233567D+01
               206           207           208           209           210 
      1  -0.873003D+00 -0.233567D+01  0.181526D+01  0.408528D+01  0.149946D+01
      2  -0.112105D+01 -0.333759D+01  0.408528D+01  0.378074D+01 -0.325667D+00
      3  -0.333759D+01  0.148694D+00  0.149946D+01 -0.325667D+00 -0.308377D+01
               211           212           213           214           215 
      1   0.678264D+01  0.592853D+01  0.654740D+00 -0.398565D+01 -0.341408D+01
      2   0.592853D+01 -0.133511D+00  0.225720D+01 -0.341408D+01 -0.367642D+00
      3   0.654740D+00  0.225720D+01  0.800985D+00 -0.454233D+01  0.146413D+00
               216           217           218           219           220 
      1  -0.454233D+01 -0.301437D+01 -0.402576D+01 -0.121088D+01 -0.464569D+01
      2   0.146413D+00 -0.402576D+01  0.467222D+00  0.178737D+01  0.157270D+01
      3  -0.213609D+01 -0.121088D+01  0.178737D+01  0.246695D+01  0.155212D+01
               221           222           223           224           225 
      1   0.157270D+01  0.155212D+01 -0.141874D+01  0.103109D+01  0.263742D+01
      2   0.121752D+01 -0.393880D+01  0.103109D+01 -0.290434D+01  0.225513D+01
      3  -0.393880D+01  0.219711D+01  0.263742D+01  0.225513D+01  0.139391D+01
               226           227           228           229           230 
      1  -0.219431D+01 -0.476790D+01 -0.652278D+00 -0.815407D+01  0.164828D+01
      2  -0.476790D+01  0.102692D+00  0.169386D+01  0.164828D+01  0.195990D+01
      3  -0.652278D+00  0.169386D+01  0.242689D+01  0.188580D+01 -0.291032D+01
               231           232           233           234           235 
      1   0.188580D+01 -0.175148D+01  0.866684D+00  0.354000D+01  0.276852D+01
      2  -0.291032D+01  0.866684D+00 -0.303107D+01  0.292227D+01  0.488808D+01
      3   0.251333D+01  0.354000D+01  0.292227D+01  0.133937D+01  0.410414D+00
               236           237           238           239           240 
      1   0.488808D+01  0.410414D+00  0.403512D+01  0.160165D+01 -0.154794D+01
      2   0.159895D+01 -0.156265D+01  0.160165D+01 -0.436560D+00  0.188946D+01
      3  -0.156265D+01 -0.308891D+01 -0.154794D+01  0.188946D+01  0.288895D+00
               241           242           243           244           245 
      1   0.738661D+00 -0.175489D+01 -0.284217D+01  0.363656D+02 -0.257596D+01
      2  -0.175489D+01  0.204224D+01  0.609757D+00 -0.257596D+01  0.276528D+01
      3  -0.284217D+01  0.609757D+00 -0.347727D+01  0.103641D+01 -0.970778D-01
               246           247           248           249           250 
      1   0.103641D+01  0.152567D+02  0.173102D+02 -0.218184D+01 -0.616713D+01
      2  -0.970778D-01  0.173102D+02  0.246845D+02 -0.302717D+01 -0.272795D+01
      3   0.978520D+00 -0.218184D+01 -0.302717D+01  0.248082D+01  0.180566D+01
               251           252           253           254           255 
      1  -0.272795D+01  0.180566D+01 -0.251235D+01  0.490335D+01 -0.291445D+00
      2  -0.318477D+01  0.474850D+01  0.490335D+01  0.392663D+01 -0.285897D+00
      3   0.474850D+01 -0.180993D+01 -0.291445D+00 -0.285897D+00  0.134666D+01
               256           257           258           259           260 
      1   0.353548D+01 -0.111957D+02  0.191006D+01  0.538262D+01  0.169117D+01
      2  -0.111957D+02 -0.457050D+01  0.668306D+00  0.169117D+01 -0.104859D+01
      3   0.191006D+01  0.668306D+00  0.545854D+00  0.104415D+01 -0.111511D+01
               261           262           263           264           265 
      1   0.104415D+01 -0.347748D+01 -0.859495D+00  0.173273D+01  0.225257D+01
      2  -0.111511D+01 -0.859495D+00 -0.415761D+01 -0.314582D-01  0.504326D+00
      3  -0.385426D+00  0.173273D+01 -0.314582D-01 -0.989740D+00 -0.670740D+00
               266           267           268           269           270 
      1   0.504326D+00 -0.670740D+00  0.180849D+01  0.473472D+00 -0.179562D+01
      2   0.471605D+01  0.117187D+01  0.473472D+00  0.434229D+01  0.153650D+01
      3   0.117187D+01  0.581435D+00 -0.179562D+01  0.153650D+01  0.373394D+01
               271           272           273           274           275 
      1  -0.478134D+02  0.859942D+01 -0.209626D+01  0.311157D+02 -0.318885D+01
      2   0.859942D+01  0.480738D+01 -0.982934D+00 -0.318885D+01  0.202532D+01
      3  -0.209626D+01 -0.982934D+00  0.333959D+00  0.145581D+01 -0.488162D-01
               276           277           278           279           280 
      1   0.145581D+01 -0.150639D+02  0.238505D+00  0.136383D+01 -0.300988D+01
      2  -0.488162D-01  0.238505D+00  0.473690D+00  0.105412D+01 -0.109484D+01
      3   0.134955D+00  0.136383D+01  0.105412D+01 -0.225818D+00 -0.167088D+01
               281           282           283           284           285 
      1  -0.109484D+01 -0.167088D+01 -0.325326D+00 -0.335594D+00  0.118539D+00
      2  -0.451696D+01  0.108814D+01 -0.335594D+00  0.185085D+01 -0.127988D+01
      3   0.108814D+01 -0.150727D+01  0.118539D+00 -0.127988D+01  0.137643D+00
               286           287           288           289           290 
      1  -0.193524D+01 -0.345502D+00 -0.198384D+01  0.194356D+01  0.212351D+01
      2  -0.345502D+00 -0.264452D+01  0.138646D+01  0.212351D+01  0.196566D+01
      3  -0.198384D+01  0.138646D+01 -0.359240D+01 -0.556018D+00 -0.395218D+00
               291           292           293           294           295 
      1  -0.556018D+00  0.153645D-01  0.257390D+01 -0.324226D+00 -0.274764D+00
      2  -0.395218D+00  0.257390D+01  0.623279D+01 -0.104434D+01 -0.387347D+00
      3   0.673077D+00 -0.324226D+00 -0.104434D+01  0.616537D+00  0.768585D+00
               296           297           298           299           300 
      1  -0.387347D+00  0.768585D+00 -0.195224D+01 -0.212424D+01 -0.556681D+00
      2  -0.706857D+00  0.150866D+01 -0.212424D+01 -0.196644D+01 -0.396042D+00
      3   0.150866D+01 -0.906083D+00 -0.556681D+00 -0.396042D+00 -0.673374D+00
               301           302           303           304           305 
      1  -0.230873D-01 -0.257418D+01 -0.324459D+00 -0.277192D+00 -0.387588D+00
      2  -0.257418D+01 -0.622919D+01 -0.104462D+01 -0.387588D+00 -0.707817D+00
      3  -0.324459D+00 -0.104462D+01 -0.616909D+00 -0.769218D+00 -0.150844D+01
               306           307           308           309           310 
      1  -0.769218D+00  0.301099D+01  0.109449D+01 -0.167085D+01  0.322631D+00
      2  -0.150844D+01  0.109449D+01  0.451625D+01  0.108805D+01  0.336574D+00
      3  -0.906329D+00 -0.167085D+01  0.108805D+01  0.150732D+01  0.118909D+00
               311           312           313           314           315 
      1   0.336574D+00  0.118909D+00 -0.193496D+01 -0.344801D+00  0.198345D+01
      2  -0.185229D+01 -0.128048D+01 -0.344801D+00 -0.264217D+01 -0.138668D+01
      3  -0.128048D+01 -0.139024D+00  0.198345D+01 -0.138668D+01 -0.359016D+01
               316           317           318           319           320 
      1  -0.513208D+01 -0.352108D+01 -0.149288D+01 -0.480267D+01 -0.481105D+01
      2  -0.352108D+01 -0.426948D+01 -0.934961D+00 -0.481105D+01 -0.627184D+01
      3  -0.149288D+01 -0.934961D+00 -0.103264D+01 -0.150469D+01 -0.201865D+01
               321           322           323           324           325 
      1  -0.150469D+01  0.836822D+00  0.420967D+00 -0.474289D+00  0.200174D+01
      2  -0.201865D+01  0.420967D+00 -0.883244D+00 -0.101580D+01 -0.121735D+01
      3  -0.164288D+01 -0.474289D+00 -0.101580D+01 -0.671478D+00 -0.174284D+01
               326           327           328           329           330 
      1  -0.121735D+01 -0.174284D+01 -0.636486D+00 -0.132828D-01  0.274279D+00
      2   0.101983D+01  0.135547D+01 -0.132828D-01 -0.137536D+01 -0.136422D+01
      3   0.135547D+01  0.355830D+01  0.274279D+00 -0.136422D+01 -0.107929D+01
               331           332           333           334           335 
      1  -0.795776D+00  0.498241D+00  0.148642D+01 -0.135504D+02 -0.618784D+00
      2   0.498241D+00 -0.141528D+01 -0.178051D+01 -0.618784D+00 -0.112531D+01
      3   0.148642D+01 -0.178051D+01 -0.469209D+01 -0.339404D+01  0.177681D+00
               336           337           338           339           340 
      1  -0.339404D+01 -0.701864D+00 -0.129083D+01  0.322182D+00 -0.174768D+01
      2   0.177681D+00 -0.129083D+01  0.593086D-01 -0.153477D+00  0.217604D+00
      3  -0.274479D+01  0.322182D+00 -0.153477D+00 -0.468911D+00 -0.222527D+01
               341           342           343           344           345 
      1   0.217604D+00 -0.222527D+01 -0.383335D+00  0.378224D+00 -0.894260D+00
      2   0.504728D+00 -0.401391D+00  0.378224D+00  0.654578D+00 -0.622873D+00
      3  -0.401391D+00 -0.236297D+00 -0.894260D+00 -0.622873D+00  0.191269D+01
               346           347           348           349           350 
      1   0.572271D+00  0.607704D-01  0.314858D+00 -0.803080D+00  0.328746D+00
      2   0.607704D-01  0.160598D+01 -0.180258D+01  0.328746D+00 -0.158951D+01
      3   0.314858D+00 -0.180258D+01  0.307763D+01 -0.308822D+00  0.226170D+01
               351           352           353           354           355 
      1  -0.308822D+00 -0.414916D+01  0.293666D+01  0.403284D+00  0.386048D+01
      2   0.226170D+01  0.293666D+01 -0.192542D+01 -0.379298D+00 -0.277771D+01
      3  -0.607757D+01  0.403284D+00 -0.379298D+00 -0.921279D+00 -0.397733D+00
               356           357           358           359           360 
      1  -0.277771D+01 -0.397733D+00  0.764745D+00 -0.881659D+00 -0.139599D+01
      2   0.480169D+01  0.491741D+00 -0.881659D+00  0.532840D+00  0.710628D+00
      3   0.491741D+00  0.510444D+00 -0.139599D+01  0.710628D+00  0.491088D+00
               361           362           363           364           365 
      1   0.584735D+01  0.223464D+01  0.250839D+00  0.200042D+01  0.965773D+00
      2   0.223464D+01  0.132874D+01 -0.267508D+00  0.965773D+00  0.732121D+00
      3   0.250839D+00 -0.267508D+00  0.238252D+01 -0.118748D+00  0.652255D+00
               366           367           368           369           370 
      1  -0.118748D+00 -0.286561D+00 -0.231174D+00  0.105011D+01 -0.255187D+00
      2   0.652255D+00 -0.231174D+00  0.519799D+00  0.386445D+00 -0.249815D+00
      3   0.854044D+00  0.105011D+01  0.386445D+00  0.101575D+00  0.900311D+00
               371           372           373           374           375 
      1  -0.249815D+00  0.900311D+00 -0.841467D+00 -0.802160D+00  0.748333D+00
      2  -0.829850D-01 -0.130099D+00 -0.802160D+00 -0.344452D+01  0.289539D+01
      3  -0.130099D+00 -0.407789D+00  0.748333D+00  0.289539D+01 -0.456650D+01
               376           377           378           379           380 
      1   0.111343D+01  0.421997D+00 -0.107566D+01 -0.339573D+01  0.189596D+01
      2   0.421997D+00  0.205034D+01 -0.256601D+01  0.189596D+01 -0.164127D+01
      3  -0.107566D+01 -0.256601D+01  0.493485D+01  0.240690D+01 -0.136036D+01
               381           382           383           384           385 
      1   0.240690D+01  0.270441D+01 -0.197303D+01 -0.199859D+01  0.152900D+01
      2  -0.136036D+01 -0.197303D+01  0.254305D+01  0.234395D+01 -0.948458D+00
      3  -0.298170D+01 -0.199859D+01  0.234395D+01  0.274735D+01 -0.207295D+01
               386           387           388           389           390 
      1  -0.948458D+00 -0.207295D+01 -0.293621D+01 -0.486800D+00 -0.140198D+01
      2   0.143496D+01  0.120344D+01 -0.486800D+00 -0.766338D+00 -0.107041D+01
      3   0.120344D+01  0.298346D+01 -0.140198D+01 -0.107041D+01 -0.150265D+01
               391           392           393           394           395 
      1  -0.642736D+00 -0.114740D+01 -0.115576D+01 -0.362689D+01 -0.168319D+01
      2  -0.114740D+01 -0.119194D+01 -0.804273D+00 -0.168319D+01 -0.125730D+01
      3  -0.115576D+01 -0.804273D+00 -0.590359D+00 -0.161484D+01 -0.727745D+00
               396           397           398           399           400 
      1  -0.161484D+01 -0.661620D+01  0.215345D+01  0.204678D+01  0.642448D+01
      2  -0.727745D+00  0.215345D+01 -0.130455D+01 -0.626867D+00 -0.211513D+01
      3  -0.403622D+01  0.204678D+01 -0.626867D+00 -0.152139D+01 -0.193388D+01
               401           402           403           404           405 
      1  -0.211513D+01 -0.193388D+01  0.308896D+01 -0.708529D+00 -0.226560D+01
      2   0.176943D+01  0.107489D+01 -0.708529D+00  0.958156D+00  0.315735D+00
      3   0.107489D+01  0.124229D+01 -0.226560D+01  0.315735D+00  0.144958D+01
               406           407           408           409           410 
      1  -0.947630D+00 -0.590162D+00  0.756315D+00 -0.244888D+01 -0.256363D+01
      2  -0.590162D+00 -0.311371D+00  0.126732D+00 -0.256363D+01 -0.467774D+01
      3   0.756315D+00  0.126732D+00 -0.427131D+00  0.139334D+01  0.275342D+01
               411           412           413           414           415 
      1   0.139334D+01  0.259075D+01  0.145229D+01 -0.199023D+01  0.268918D+01
      2   0.275342D+01  0.145229D+01  0.283132D+01 -0.250225D+01 -0.218797D+01
      3  -0.261807D+01 -0.199023D+01 -0.250225D+01  0.295845D+01 -0.104547D+01
               416           417           418           419           420 
      1  -0.218797D+01 -0.104547D+01 -0.159801D+01  0.144374D+01  0.591973D+00
      2   0.305133D+01  0.796965D+00  0.144374D+01 -0.348295D+01 -0.123620D+01
      3   0.796965D+00  0.149754D+01  0.591973D+00 -0.123620D+01 -0.740327D+00
               421           422           423           424           425 
      1  -0.173910D+01  0.100061D+01  0.128335D+01 -0.520407D+01 -0.392742D+01
      2   0.100061D+01 -0.290681D+01 -0.125220D+01 -0.392742D+01 -0.510758D+01
      3   0.128335D+01 -0.125220D+01 -0.128344D+01  0.500767D+00  0.807598D+00
               426           427           428           429           430 
      1   0.500767D+00 -0.260346D+01 -0.325559D+01  0.495929D+00 -0.493688D-01
      2   0.807598D+00 -0.325559D+01 -0.552933D+01  0.466710D+00  0.274110D+00
      3  -0.740558D+00  0.495929D+00  0.466710D+00 -0.731598D+00 -0.477882D+00
               431           432           433           434           435 
      1   0.274110D+00 -0.477882D+00  0.872443D+00 -0.844975D+00  0.109807D+01
      2  -0.139216D+00 -0.880446D+00 -0.844975D+00  0.903122D+00 -0.524952D+00
      3  -0.880446D+00  0.576802D+00  0.109807D+01 -0.524952D+00  0.214901D+01
               436           437           438           439           440 
      1   0.230546D-01  0.296499D+00  0.853165D-01  0.114750D+01 -0.369091D+00
      2   0.296499D+00 -0.276085D-01  0.719440D+00 -0.369091D+00  0.212350D+01
      3   0.853165D-01  0.719440D+00 -0.172116D+00  0.138535D+01 -0.187773D+01
               441           442           443           444           445 
      1   0.138535D+01  0.249225D+00  0.248946D+00  0.897265D+00  0.837438D+00
      2  -0.187773D+01  0.248946D+00  0.762744D-01 -0.134273D+00  0.794590D+00
      3   0.609738D+01  0.897265D+00 -0.134273D+00  0.395651D+00  0.740837D+00
               446           447           448           449           450 
      1   0.794590D+00  0.740837D+00  0.110860D+01  0.415608D+00  0.106585D+01
      2   0.345057D+01  0.289282D+01  0.415608D+00  0.204953D+01  0.256605D+01
      3   0.289282D+01  0.456948D+01  0.106585D+01  0.256605D+01  0.492128D+01
               451           452           453           454           455 
      1  -0.587130D+01 -0.225805D+01  0.232932D+00 -0.201351D+01 -0.977717D+00
      2  -0.225805D+01 -0.135382D+01 -0.283615D+00 -0.977717D+00 -0.741227D+00
      3   0.232932D+00 -0.283615D+00 -0.238592D+01 -0.125428D+00  0.647248D+00
               456           457           458           459           460 
      1  -0.125428D+00 -0.330106D+00 -0.265752D+00 -0.107049D+01  0.339351D+01
      2   0.647248D+00 -0.265752D+00  0.488156D+00 -0.406432D+00 -0.189099D+01
      3  -0.858006D+00 -0.107049D+01 -0.406432D+00  0.817599D-01  0.240875D+01
               461           462           463           464           465 
      1  -0.189099D+01  0.240875D+01 -0.269838D+01  0.196644D+01 -0.199902D+01
      2   0.163672D+01 -0.136145D+01  0.196644D+01 -0.253511D+01  0.234456D+01
      3  -0.136145D+01  0.298930D+01 -0.199902D+01  0.234456D+01 -0.275273D+01
               466           467           468           469           470 
      1   0.153424D+01 -0.949468D+00  0.207966D+01  0.944944D+00  0.590768D+00
      2  -0.949468D+00  0.143714D+01 -0.120752D+01  0.590768D+00  0.309386D+00
      3   0.207966D+01 -0.120752D+01  0.299929D+01  0.755469D+00  0.125530D+00
               471           472           473           474           475 
      1   0.755469D+00  0.245036D+01  0.256237D+01  0.139422D+01  0.258899D+01
      2   0.125530D+00  0.256237D+01  0.468056D+01  0.275691D+01  0.144839D+01
      3   0.426987D+00  0.139422D+01  0.275691D+01  0.262128D+01  0.199071D+01
               476           477           478           479           480 
      1   0.144839D+01  0.199071D+01  0.659494D+01 -0.215326D+01  0.204814D+01
      2   0.282946D+01  0.249954D+01 -0.215326D+01  0.130398D+01 -0.629842D+00
      3   0.249954D+01  0.295687D+01  0.204814D+01 -0.629842D+00  0.152387D+01
               481           482           483           484           485 
      1  -0.642045D+01  0.211599D+01 -0.194109D+01  0.309766D+01 -0.713347D+00
      2   0.211599D+01 -0.177204D+01  0.107966D+01 -0.713347D+00  0.960970D+00
      3  -0.194109D+01  0.107966D+01 -0.124865D+01  0.227378D+01 -0.320420D+00
               486           487           488           489           490 
      1   0.227378D+01  0.285772D+01  0.487987D+00 -0.149066D+01  0.661715D+00
      2  -0.320420D+00  0.487987D+00  0.764380D+00 -0.108255D+01  0.114213D+01
      3   0.145869D+01 -0.149066D+01 -0.108255D+01  0.142048D+01 -0.114729D+01
               491           492           493           494           495 
      1   0.114213D+01 -0.114729D+01 -0.371699D+01 -0.168906D+01  0.153036D+01
      2   0.118411D+01 -0.811698D+00 -0.168906D+01 -0.126224D+01  0.701325D+00
      3  -0.811698D+00  0.575484D+00  0.153036D+01  0.701325D+00 -0.413094D+01
               496           497           498           499           500 
      1   0.135767D+02  0.626540D+00 -0.334969D+01  0.711838D+00  0.130707D+01
      2   0.626540D+00  0.113992D+01  0.214185D+00  0.130707D+01 -0.439864D-01
      3  -0.334969D+01  0.214185D+00  0.281096D+01  0.360367D+00 -0.116427D+00
               501           502           503           504           505 
      1   0.360367D+00 -0.170319D+01  0.248790D+00  0.227720D+01  0.384796D+00
      2  -0.116427D+00  0.248790D+00  0.534232D+00  0.459017D+00 -0.380374D+00
      3   0.544756D+00  0.227720D+01  0.459017D+00 -0.102039D+00 -0.893820D+00
               506           507           508           509           510 
      1  -0.380374D+00 -0.893820D+00 -0.574399D+00 -0.587918D-01  0.317513D+00
      2  -0.654635D+00 -0.623120D+00 -0.587918D-01 -0.160768D+01 -0.180427D+01
      3  -0.623120D+00 -0.191353D+01  0.317513D+00 -0.180427D+01 -0.307831D+01
               511           512           513           514           515 
      1  -0.802230D+00  0.331554D+00  0.313285D+00 -0.198958D+01  0.121493D+01
      2   0.331554D+00 -0.159127D+01 -0.226387D+01  0.121493D+01 -0.101848D+01
      3   0.313285D+00 -0.226387D+01 -0.607922D+01 -0.173523D+01  0.135538D+01
               516           517           518           519           520 
      1  -0.173523D+01  0.641072D+00  0.143875D-01  0.277134D+00 -0.794102D+00
      2   0.135538D+01  0.143875D-01  0.137442D+01 -0.136565D+01  0.498524D+00
      3  -0.355628D+01  0.277134D+00 -0.136565D+01  0.108557D+01 -0.148458D+01
               521           522           523           524           525 
      1   0.498524D+00 -0.148458D+01  0.517363D+01  0.352180D+01 -0.146069D+01
      2  -0.141661D+01  0.178475D+01  0.352180D+01  0.427004D+01 -0.935437D+00
      3   0.178475D+01 -0.470701D+01 -0.146069D+01 -0.935437D+00  0.106067D+01
               526           527           528           529           530 
      1   0.479898D+01  0.481045D+01 -0.151080D+01  0.871372D+00  0.419855D+00
      2   0.481045D+01  0.626213D+01 -0.201426D+01  0.419855D+00 -0.878218D+00
      3  -0.151080D+01 -0.201426D+01  0.163564D+01  0.499629D+00  0.101431D+01
               531           532           533           534           535 
      1   0.499629D+00  0.414172D+01 -0.292794D+01  0.404469D+00 -0.385303D+01
      2   0.101431D+01 -0.292794D+01  0.195609D+01 -0.380397D+00  0.279169D+01
      3  -0.647079D+00  0.404469D+00 -0.380397D+00  0.920809D+00 -0.400270D+00
               536           537           538           539           540 
      1   0.279169D+01 -0.400270D+00  0.766208D+00 -0.886894D+00  0.139609D+01
      2  -0.474260D+01  0.496424D+00 -0.886894D+00  0.527759D+00 -0.712650D+00
      3   0.496424D+00 -0.512550D+00  0.139609D+01 -0.712650D+00  0.495511D+00
               541           542           543           544           545 
      1   0.521411D+01  0.392699D+01  0.503830D+00  0.260104D+01  0.325670D+01
      2   0.392699D+01  0.510982D+01  0.808341D+00  0.325670D+01  0.551944D+01
      3   0.503830D+00  0.808341D+00  0.740544D+00  0.496790D+00  0.467335D+00
               546           547           548           549           550 
      1   0.496790D+00 -0.440253D-01  0.275982D+00  0.478281D+00 -0.267882D+01
      2   0.467335D+00  0.275982D+00 -0.134803D+00  0.881375D+00  0.218437D+01
      3   0.731742D+00  0.478281D+00  0.881375D+00  0.577228D+00 -0.104558D+01
               551           552           553           554           555 
      1   0.218437D+01 -0.104558D+01  0.159121D+01 -0.144313D+01  0.593008D+00
      2  -0.305074D+01  0.800426D+00 -0.144313D+01  0.348663D+01 -0.124165D+01
      3   0.800426D+00 -0.149965D+01  0.593008D+00 -0.124165D+01  0.744636D+00
               556           557           558           559           560 
      1  -0.173669D+01  0.100113D+01 -0.128471D+01 -0.877454D+00  0.846078D+00
      2   0.100113D+01 -0.291556D+01  0.125834D+01  0.846078D+00 -0.909574D+00
      3  -0.128471D+01  0.125834D+01 -0.129109D+01  0.110086D+01 -0.527303D+00
               561           562           563           564           565 
      1   0.110086D+01 -0.232473D-01 -0.299164D+00  0.837655D-01  0.114871D+01
      2  -0.527303D+00 -0.299164D+00  0.316594D-01  0.721402D+00 -0.369919D+00
      3  -0.215276D+01  0.837655D-01  0.721402D+00  0.174119D+00 -0.138849D+01
               566           567 
      1  -0.369919D+00 -0.138849D+01
      2   0.212429D+01  0.187588D+01
      3   0.187588D+01  0.608809D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.641380D+01 -0.718307D+01 -0.887780D+00  0.119194D+01  0.245029D+01
      2  -0.902829D+01  0.140468D+01  0.167234D+02 -0.677146D+01  0.526465D+01
      3   0.148949D+02 -0.789753D+01 -0.294911D+01 -0.886879D+01  0.201114D+01
                 6             7             8             9            10 
      1  -0.316407D+01 -0.350084D+01  0.599581D+01 -0.745806D+01 -0.359840D+01
      2   0.202635D+02  0.115685D+02  0.201190D+02  0.438808D+01 -0.124069D+01
      3  -0.200599D+01  0.455243D+01  0.943095D+01 -0.212685D+02 -0.179005D+02
                11            12            13            14            15 
      1   0.603622D+01  0.146134D+01 -0.309924D-01  0.822978D+00 -0.417102D+01
      2   0.335872D+01 -0.824060D+01  0.951860D+01 -0.103092D+02 -0.221836D+02
      3   0.220074D+02 -0.630457D+01  0.706970D+02  0.419093D+01  0.106530D+02
                16            17            18            19            20 
      1   0.150119D+02  0.521344D+01  0.367425D+01  0.151175D+02 -0.637327D+01
      2  -0.250988D+02 -0.184463D+02  0.963654D+00  0.416921D+01  0.499617D+01
      3  -0.149208D+02 -0.547003D+01  0.188200D+02 -0.877008D+01 -0.672195D+02
                21            22            23            24            25 
      1  -0.123925D+00  0.423573D+02  0.344890D+01 -0.136874D+01  0.328177D+01
      2   0.544171D+01 -0.117107D+03  0.943689D+01  0.527518D+01  0.113803D+03
      3  -0.449650D+01  0.131106D+03 -0.641774D+02 -0.803450D+01  0.610047D+02
                26            27            28            29            30 
      1  -0.344294D+00  0.125304D+01  0.943919D+01  0.223232D+01  0.192747D+01
      2   0.188309D+01  0.288720D+01 -0.238376D+03 -0.168596D+02 -0.165140D+02
      3  -0.106773D+02 -0.132223D+02  0.222942D+03 -0.411931D+02 -0.716796D+01
                31            32            33            34            35 
      1   0.165855D+02 -0.879370D+01  0.499673D+01  0.266721D+02  0.801905D+01
      2  -0.270867D+02 -0.203807D+02  0.337888D+00  0.120075D+01  0.736277D+01
      3  -0.134282D+02 -0.810684D+01 -0.432411D+00  0.745669D+02 -0.704712D+01
                36            37            38            39            40 
      1   0.159840D+00  0.118216D+02 -0.269435D+01  0.393359D+01 -0.919723D+01
      2   0.258637D+01 -0.653016D+01  0.126502D+02 -0.615695D+01  0.658516D+02
      3  -0.140985D+02 -0.221663D+01  0.162979D+00 -0.950215D+01  0.121953D+02
                41            42            43            44            45 
      1   0.342727D+01 -0.103285D+02 -0.147000D+01  0.187382D+02 -0.443934D+01
      2   0.703475D+01  0.122322D+02 -0.156763D+03 -0.254468D+02  0.565451D+01
      3   0.124448D+02  0.136657D+02 -0.454690D+02  0.959916D+01 -0.372519D+01
                46            47            48            49            50 
      1   0.459155D+01  0.369778D+01 -0.813912D+01  0.937807D+01 -0.862338D+01
      2   0.277997D+02 -0.137203D+01  0.182785D+02  0.271333D+02  0.797554D+01
      3   0.260389D+02  0.389006D+01  0.547997D+01  0.195501D+02 -0.139653D+02
                51            52            53            54            55 
      1  -0.320041D+01 -0.125876D+02  0.130273D+01  0.683093D+01 -0.111517D+02
      2  -0.486243D+01  0.300804D+02  0.103815D+01 -0.235684D+01  0.105687D+01
      3  -0.101366D+02  0.346137D+01 -0.528332D+01  0.135869D+02  0.237247D+02
                56            57            58            59            60 
      1   0.551625D+01 -0.589066D+01  0.875109D+01 -0.518017D+00 -0.934725D+00
      2  -0.642677D+01  0.235841D+02 -0.467189D+02  0.783016D+01  0.130709D+02
      3  -0.101669D+02  0.107914D+02 -0.298611D+02 -0.135898D+02 -0.209074D+02
                61            62            63            64            65 
      1  -0.900265D+01  0.506060D+01  0.460778D+01  0.247427D+02  0.247162D+01
      2   0.309743D+02  0.144789D+02 -0.106858D+02 -0.519981D+02 -0.268773D+02
      3   0.931123D+01 -0.178889D+02 -0.997324D+01  0.208388D+02  0.387888D+02
                66            67            68            69            70 
      1   0.681225D+00 -0.173653D+01  0.209641D+01 -0.357960D+01  0.164175D+01
      2   0.287490D+02 -0.140056D+03 -0.165465D+02  0.904353D+01  0.218018D+03
      3   0.255599D+02 -0.406268D+03 -0.689717D+02  0.119196D+02 -0.877104D+02
                71            72            73            74            75 
      1  -0.137137D+02 -0.221570D+01  0.100346D+00 -0.233664D-01  0.320166D+01
      2   0.144630D+02  0.313383D+01 -0.449578D+00 -0.294750D-01 -0.507721D+02
      3  -0.309991D+01  0.210643D+01  0.331328D+02 -0.347260D+02 -0.963983D-02
                76            77            78            79            80 
      1   0.443576D+00  0.240261D-01 -0.132061D+01  0.742644D+02  0.419612D+02
      2  -0.639971D+00 -0.253719D+00 -0.479810D+01 -0.961816D+03  0.119759D+02
      3   0.105846D+04 -0.202296D+02 -0.193011D+00 -0.564343D-01  0.337828D-01
                81            82            83            84            85 
      1  -0.983131D-02  0.104136D+03  0.518613D+01 -0.297344D+01 -0.509792D+02
      2   0.115752D+00 -0.314636D+03 -0.325628D+02  0.193935D+02  0.392002D+03
      3   0.695998D+01  0.392272D+02  0.421972D+02  0.208118D+02 -0.331678D+03
                86            87            88            89            90 
      1  -0.171526D+00 -0.117151D+01 -0.594240D+02 -0.138457D+02 -0.204865D+01
      2   0.219535D+02 -0.563853D+01  0.236669D+03 -0.227753D+02 -0.103129D+01
      3   0.610555D+02 -0.166868D+02 -0.972304D+02 -0.149790D+01 -0.395922D+01
                91            92            93            94            95 
      1  -0.789635D+02 -0.314158D+01 -0.857271D-02 -0.470039D+02  0.496081D+01
      2   0.747331D+02 -0.415412D+01 -0.125187D+02  0.334451D+02  0.673505D+01
      3  -0.327045D+03  0.111018D+02 -0.638638D+01  0.147015D+03  0.126381D+03
                96            97            98            99           100 
      1  -0.151674D+01 -0.247679D+02  0.130975D+02  0.150569D+01  0.172525D+01
      2  -0.100214D+02 -0.209200D+02 -0.175313D+02 -0.737229D+01 -0.113227D+02
      3   0.157320D+02  0.563999D+02  0.182782D+02  0.258490D+02 -0.187353D+02
               101           102           103           104           105 
      1   0.314981D+01 -0.387607D+01 -0.928296D+01 -0.573095D+01  0.672845D-01
      2  -0.251390D+01 -0.464560D+01  0.358392D+02 -0.708902D+00 -0.356152D+00
      3   0.227779D+02  0.920103D+00 -0.773021D+02 -0.513538D+02 -0.719425D+01
               106           107           108           109           110 
      1   0.238589D+02  0.167631D+02  0.105775D+01  0.124172D+02 -0.650007D+00
      2  -0.564340D+02  0.197636D+02 -0.456654D+00 -0.421872D+01 -0.734708D+00
      3  -0.262549D+02  0.229866D+01 -0.174308D+00 -0.802497D+01 -0.194153D+02
               111           112           113           114           115 
      1   0.437203D+01 -0.103753D+02  0.392097D+01 -0.495499D+01  0.950473D+01
      2   0.605182D+01  0.611100D+01  0.286992D+01 -0.416780D+01 -0.238314D+01
      3  -0.533443D+01  0.130116D+02  0.210178D+02 -0.293454D+01  0.136357D+01
               116           117           118           119           120 
      1  -0.486418D+01  0.138560D+02 -0.506657D+01  0.597235D+01 -0.121273D+02
      2  -0.690407D+01  0.140495D+02 -0.108673D+02 -0.218685D+01  0.111939D+02
      3  -0.185029D+02  0.313270D+00  0.706774D+01 -0.202005D+02  0.649169D+01
               121           122           123           124           125 
      1   0.266420D+01 -0.848182D+01  0.338017D+00 -0.114186D+02  0.932968D+01
      2  -0.725740D+00  0.629170D+01  0.409921D+00  0.970667D+01  0.129364D+01
      3  -0.382352D+01 -0.767967D+01 -0.136272D+02  0.141187D+02 -0.135649D+02
               126           127           128           129           130 
      1   0.146942D+02  0.723280D+01 -0.443486D+01  0.669821D+01 -0.100074D+02
      2  -0.127305D+02 -0.776238D+01  0.668216D+01 -0.157742D+02  0.223055D+02
      3   0.148528D+02 -0.289870D+02  0.883376D+01 -0.125361D+02  0.400126D+02
               131           132           133           134           135 
      1   0.178756D+01 -0.187897D+01  0.908089D+01  0.419691D+01 -0.614259D+01
      2  -0.146674D+02 -0.192253D+02 -0.352666D+02 -0.245875D+02  0.129689D+02
      3   0.124235D+02  0.251560D+02 -0.112485D+02  0.215328D+02  0.149918D+02
               136           137           138           139           140 
      1   0.138687D+02 -0.257753D+01  0.702872D+01 -0.769507D+01  0.155057D+00
      2  -0.236978D+02 -0.545282D+01 -0.422193D+01 -0.948099D+01 -0.170385D+02
      3  -0.196668D+02  0.180755D+01 -0.835760D+01  0.133451D+02  0.514675D+01
               141           142           143           144           145 
      1  -0.163160D+02  0.460527D+01 -0.653789D+01 -0.803676D+01 -0.248701D+02
      2  -0.156769D+02 -0.746109D+01 -0.117914D+02  0.143584D+02  0.520783D+02
      3   0.185452D+02 -0.178272D+01  0.145100D+02  0.939584D+01  0.240115D+02
               146           147           148           149           150 
      1  -0.242153D+01  0.692189D+00  0.158359D+01 -0.218863D+01 -0.356132D+01
      2   0.271704D+02  0.287612D+02  0.139775D+03  0.165471D+02  0.901812D+01
      3   0.386641D+02 -0.255191D+02 -0.403817D+03 -0.690746D+02 -0.117725D+02
               151           152           153           154           155 
      1   0.164189D+01 -0.136912D+02  0.222135D+01 -0.922636D+01 -0.226939D+01
      2   0.217895D+03  0.143100D+02 -0.320347D+01  0.238554D+03  0.166881D+02
      3   0.875273D+02  0.309090D+01  0.208967D+01  0.224026D+03 -0.411621D+02
               156           157           158           159           160 
      1   0.193921D+01 -0.168077D+02  0.887223D+01  0.498896D+01  0.268658D+02
      2  -0.165797D+02  0.276039D+02  0.206982D+02  0.340195D+00  0.964359D+00
      3   0.704634D+01 -0.123910D+02 -0.817858D+01  0.453959D+00 -0.748045D+02
               161           162           163           164           165 
      1   0.799855D+01 -0.160800D+00 -0.118235D+02  0.268628D+01  0.392029D+01
      2   0.735708D+01 -0.260312D+01  0.666607D+01 -0.126402D+02 -0.611348D+01
      3   0.710062D+01 -0.140799D+02 -0.228591D+01  0.135134D+00  0.950621D+01
               166           167           168           169           170 
      1   0.918866D+01 -0.341819D+01 -0.103075D+02 -0.157988D+01  0.187573D+02
      2  -0.659149D+02 -0.704531D+01  0.121959D+02 -0.156606D+03 -0.254772D+02
      3   0.119864D+02  0.124102D+02 -0.136540D+02  0.455322D+02 -0.957661D+01
               171           172           173           174           175 
      1   0.447466D+01  0.111918D+02 -0.550138D+01 -0.587118D+01 -0.873335D+01
      2  -0.568300D+01 -0.113048D+01  0.636562D+01  0.235132D+02  0.466437D+02
      3  -0.367562D+01  0.238122D+02 -0.101042D+02 -0.107531D+02 -0.297459D+02
               176           177           178           179           180 
      1   0.529531D+00 -0.965705D+00 -0.896503D+01  0.504165D+01 -0.463969D+01
      2  -0.783143D+01  0.131359D+02  0.308819D+02  0.145101D+02  0.107617D+02
      3  -0.135780D+02  0.208731D+02 -0.919455D+01  0.178714D+02 -0.100427D+02
               181           182           183           184           185 
      1   0.357785D+01 -0.604824D+01  0.146486D+01  0.422964D-01 -0.846814D+00
      2   0.125624D+01 -0.333646D+01 -0.820976D+01 -0.947377D+01  0.102773D+02
      3  -0.179860D+02  0.219358D+02  0.628374D+01  0.706832D+02  0.416326D+01
               186           187           188           189           190 
      1  -0.416174D+01  0.149825D+02  0.519340D+01 -0.367743D+01 -0.150917D+02
      2  -0.222064D+02 -0.250521D+02 -0.184634D+02 -0.102570D+01 -0.441903D+01
      3  -0.106088D+02  0.149365D+02  0.552160D+01  0.188399D+02 -0.916206D+01
               191           192           193           194           195 
      1   0.639334D+01 -0.125486D+00 -0.421302D+02 -0.345649D+01 -0.135992D+01
      2  -0.499608D+01  0.543107D+01  0.117060D+03 -0.975080D+01  0.525441D+01
      3  -0.672345D+02  0.447110D+01  0.130965D+03 -0.642085D+02  0.795284D+01
               196           197           198           199           200 
      1   0.334709D+01 -0.341025D+00 -0.123729D+01  0.644178D+01  0.720316D+01
      2   0.113644D+03  0.189801D+01 -0.294240D+01  0.884183D+01 -0.152348D+01
      3  -0.613413D+02  0.105836D+02 -0.131435D+02  0.149086D+02 -0.791072D+01
               201           202           203           204           205 
      1  -0.968350D+00 -0.114285D+01 -0.240364D+01 -0.323924D+01 -0.356134D+01
      2   0.169386D+02  0.658894D+01 -0.537086D+01  0.205452D+02  0.117509D+02
      3   0.306002D+01 -0.889890D+01  0.193527D+01  0.205794D+01 -0.444634D+01
               206           207           208           209           210 
      1   0.596847D+01  0.757466D+01 -0.464819D+01 -0.370150D+01 -0.806389D+01
      2   0.203005D+02 -0.473600D+01 -0.276054D+02  0.136738D+01  0.180892D+02
      3  -0.939415D+01 -0.213964D+02  0.260232D+02  0.390326D+01 -0.543332D+01
               211           212           213           214           215 
      1  -0.937797D+01  0.862895D+01 -0.324626D+01 -0.125101D+02  0.128075D+01
      2  -0.271956D+02 -0.801393D+01 -0.475969D+01  0.298260D+02  0.108464D+01
      3   0.196544D+02 -0.139404D+02  0.101459D+02 -0.344000D+01  0.529812D+01
               216           217           218           219           220 
      1  -0.692647D+01 -0.138594D+02  0.262278D+01  0.697996D+01  0.775760D+01
      2   0.258151D+01  0.237466D+02  0.551752D+01 -0.416425D+01  0.952539D+01
      3   0.134617D+02 -0.196471D+02  0.187994D+01  0.829301D+01  0.134506D+02
               221           222           223           224           225 
      1  -0.206567D+00 -0.163167D+02  0.454493D+01 -0.653526D+01  0.807970D+01
      2   0.170010D+02 -0.157082D+02 -0.738693D+01 -0.118106D+02 -0.143558D+02
      3   0.509341D+01 -0.185636D+02  0.168185D+01 -0.145409D+02  0.948961D+01
               226           227           228           229           230 
      1  -0.728910D+01  0.443090D+01  0.668168D+01  0.100067D+02 -0.177075D+01
      2   0.793074D+01 -0.668173D+01 -0.156948D+02 -0.223297D+02  0.145656D+02
      3  -0.291467D+02  0.880539D+01  0.125960D+02  0.399442D+02  0.124020D+02
               231           232           233           234           235 
      1  -0.187427D+01  0.905953D+01  0.421207D+01  0.618465D+01  0.512713D+01
      2  -0.191314D+02 -0.351931D+02 -0.245411D+02 -0.131057D+02  0.108574D+02
      3  -0.250470D+02  0.112690D+02 -0.214593D+02  0.149587D+02  0.717494D+01
               236           237           238           239           240 
      1  -0.595144D+01 -0.120862D+02 -0.264874D+01  0.848181D+01  0.291882D+00
      2   0.215266D+01  0.111491D+02  0.705274D+00 -0.628815D+01  0.450115D+00
      3  -0.201843D+02 -0.651821D+01 -0.389947D+01 -0.767960D+01  0.136194D+02
               241           242           243           244           245 
      1  -0.113979D+02  0.929466D+01 -0.147528D+02  0.786944D+02  0.311594D+01
      2   0.969055D+01  0.132960D+01  0.127711D+02 -0.744652D+02  0.439970D+01
      3  -0.141530D+02  0.135393D+02  0.147915D+02 -0.326603D+03  0.110288D+02
               246           247           248           249           250 
      1  -0.787725D-02  0.470113D+02 -0.500752D+01 -0.153044D+01 -0.245948D+02
      2  -0.124862D+02 -0.337057D+02 -0.659992D+01 -0.100206D+02 -0.207766D+02
      3   0.649343D+01  0.145591D+03  0.126612D+03 -0.157463D+02 -0.563812D+02
               251           252           253           254           255 
      1   0.131095D+02 -0.150412D+01 -0.176227D+01 -0.314908D+01 -0.387682D+01
      2  -0.175280D+02  0.737437D+01  0.113365D+02  0.250133D+01 -0.465163D+01
      3  -0.181902D+02  0.258563D+02 -0.185468D+02  0.228595D+02 -0.918536D+00
               256           257           258           259           260 
      1   0.926323D+01  0.569703D+01  0.661702D-01  0.237891D+02  0.167630D+02
      2  -0.356680D+02  0.735600D+00 -0.355702D+00 -0.563828D+02  0.197811D+02
      3  -0.771326D+02 -0.514985D+02  0.721940D+01  0.263429D+02 -0.230588D+01
               261           262           263           264           265 
      1  -0.106813D+01 -0.124112D+02  0.632707D+00  0.437769D+01  0.103561D+02
      2   0.457711D+00  0.423216D+01  0.744480D+00  0.605280D+01 -0.612346D+01
      3  -0.189414D+00 -0.798527D+01 -0.195988D+02  0.534124D+01  0.128466D+02
               266           267           268           269           270 
      1  -0.393076D+01 -0.495830D+01  0.949599D+01 -0.486273D+01 -0.138523D+02
      2  -0.286259D+01 -0.416455D+01 -0.237221D+01 -0.690356D+01 -0.140457D+02
      3   0.207419D+02  0.292433D+01 -0.148863D+01  0.184563D+02  0.303327D+00
               271           272           273           274           275 
      1  -0.104075D+03 -0.512449D+01 -0.295402D+01  0.506772D+02  0.216089D+00
      2   0.314604D+03  0.322743D+02  0.193242D+02 -0.391298D+03 -0.218132D+02
      3   0.421565D+02  0.421490D+02 -0.208513D+02 -0.333740D+03  0.609698D+02
               276           277           278           279           280 
      1  -0.119023D+01 -0.594777D+02 -0.138589D+02  0.205599D+01  0.110804D+02
      2  -0.556356D+01  0.236013D+03 -0.229000D+02  0.974434D+00  0.268755D+00
      3   0.167962D+02  0.976236D+02  0.132679D+01 -0.399090D+01 -0.525409D+01
               281           282           283           284           285 
      1   0.322740D+01  0.460639D+01 -0.691451D+01  0.892668D+00 -0.113478D+01
      2  -0.125362D+00  0.661004D+01  0.407148D+01 -0.527810D+00 -0.125859D+01
      3  -0.247764D+02 -0.198443D+01  0.644517D+01  0.835269D+01 -0.420200D+01
               286           287           288           289           290 
      1   0.647811D+01  0.153025D+00  0.115737D+02 -0.160086D+01 -0.359566D+00
      2   0.102561D+02 -0.268253D+01  0.119728D+02  0.760956D+01  0.193242D+01
      3   0.280421D+01 -0.135426D+02 -0.186119D+01  0.436022D+02  0.125736D+02
               291           292           293           294           295 
      1  -0.345564D+01 -0.295761D+01 -0.121678D+01 -0.565432D+01 -0.291206D+01
      2  -0.171749D+00  0.752028D+01  0.364897D+01 -0.136420D+01 -0.301853D+00
      3  -0.365303D+01  0.348056D+02  0.317559D+02 -0.438216D+01 -0.898511D+01
               296           297           298           299           300 
      1  -0.342339D+01  0.293315D+01  0.161251D+01  0.363394D+00 -0.345510D+01
      2  -0.476507D+01  0.281684D+01 -0.764650D+01 -0.194010D+01 -0.173350D+00
      3  -0.372406D+01  0.829202D+01  0.436496D+02  0.125821D+02  0.365268D+01
               301           302           303           304           305 
      1   0.295713D+01  0.122583D+01 -0.565769D+01 -0.291620D+01 -0.342089D+01
      2  -0.757829D+01 -0.365653D+01 -0.136015D+01 -0.316991D+00 -0.476337D+01
      3   0.348357D+02  0.317412D+02  0.437589D+01  0.899139D+01  0.373107D+01
               306           307           308           309           310 
      1  -0.293714D+01 -0.110798D+02 -0.323226D+01  0.460735D+01  0.692972D+01
      2  -0.281592D+01 -0.223152D+00  0.139321D+00  0.660548D+01 -0.412070D+01
      3   0.829028D+01 -0.540621D+01 -0.247569D+02  0.197805D+01  0.654767D+01
               311           312           313           314           315 
      1  -0.881655D+00 -0.113667D+01  0.646751D+01  0.152332D+00 -0.115669D+02
      2   0.515630D+00 -0.126284D+01  0.102281D+02 -0.269176D+01 -0.119599D+02
      3   0.834708D+01  0.420088D+01 -0.267942D+01  0.135206D+02 -0.185020D+01
               316           317           318           319           320 
      1  -0.162589D+00  0.573300D+01 -0.245130D+01  0.234706D+01  0.390189D+01
      2  -0.308169D+01 -0.134654D+01  0.517042D+01  0.610980D+01  0.538040D+01
      3  -0.366202D+01 -0.148270D+02 -0.148766D+01 -0.980420D+01 -0.200395D+02
               321           322           323           324           325 
      1  -0.422073D+01 -0.123096D+01  0.639565D+00  0.529407D+00 -0.179306D+01
      2   0.815717D+01 -0.654592D+01  0.296801D+01  0.311119D+01  0.149196D+02
      3  -0.647994D+01  0.150659D+01 -0.593973D+01 -0.416582D+01 -0.126705D+02
               326           327           328           329           330 
      1   0.199656D-01  0.705187D+01 -0.956685D-01 -0.964374D+00 -0.132072D+01
      2  -0.723796D+01 -0.174957D+02 -0.172447D+01  0.677622D+01  0.530959D+01
      3   0.691626D+01  0.111933D+02  0.335699D+01 -0.637732D+01 -0.731981D+01
               331           332           333           334           335 
      1   0.314515D+01  0.539829D-01 -0.779932D+01  0.260414D+00  0.419679D+01
      2  -0.667542D+01  0.105039D+02  0.234573D+02 -0.537047D+01 -0.245812D+01
      3   0.570749D+01 -0.773655D+01 -0.132996D+02 -0.163047D+01 -0.107520D+02
               336           337           338           339           340 
      1  -0.206310D+01  0.453717D+01  0.171764D+01 -0.208160D+01  0.543614D+00
      2   0.141587D+02 -0.291121D+01 -0.212736D+01  0.421316D+01  0.102291D+02
      3   0.232316D+01 -0.334229D+01 -0.600528D+00 -0.205496D+00  0.491453D+01
               341           342           343           344           345 
      1  -0.253180D+00  0.391730D+00 -0.160777D+01 -0.269410D+01  0.137115D+01
      2   0.295156D+01 -0.295567D+01  0.582377D+01  0.430713D+01 -0.113367D+02
      3   0.197730D+01 -0.196783D+01  0.208661D+01  0.339878D+01 -0.352587D+01
               346           347           348           349           350 
      1  -0.961179D+00 -0.556615D+01  0.312783D+01 -0.175233D+01  0.546959D+01
      2   0.480559D+00  0.104203D+02 -0.165690D+02 -0.218544D+01 -0.120687D+02
      3   0.257401D+01  0.102057D+02 -0.101228D+02 -0.382764D+00 -0.847941D+01
               351           352           353           354           355 
      1  -0.600464D+01 -0.906742D+00 -0.323107D+00  0.185731D+01  0.230381D+01
      2   0.324042D+02 -0.137352D+01  0.221664D+01  0.640920D+01  0.275741D+01
      3   0.134364D+02  0.496295D+01 -0.117000D+02 -0.159061D+01 -0.126782D+02
               356           357           358           359           360 
      1  -0.103643D+01 -0.264368D+01 -0.195467D+01  0.192165D+01 -0.105076D+01
      2  -0.303024D+01 -0.368433D+01  0.641929D+01 -0.317971D+01 -0.306615D+01
      3   0.266584D+02  0.233264D+01 -0.378827D+01  0.290560D+01  0.357049D+01
               361           362           363           364           365 
      1   0.747148D+01  0.358404D+01  0.776108D+00  0.380066D+01  0.346397D+01
      2  -0.231976D+02 -0.772011D+01 -0.802853D+01 -0.806693D+01 -0.669560D+01
      3   0.122184D+02  0.302724D+01 -0.148532D+01  0.507007D+01  0.292368D+01
               366           367           368           369           370 
      1   0.844030D+00  0.120413D+01  0.248891D+01  0.981422D+00  0.244058D+00
      2  -0.263793D+01 -0.504442D+01 -0.662029D+00 -0.307271D+01 -0.416226D+01
      3   0.240096D+01 -0.141422D+01  0.163054D+01  0.118619D+01  0.936485D+00
               371           372           373           374           375 
      1  -0.688802D+00 -0.618246D+00 -0.143858D+01 -0.116564D+02  0.379508D+01
      2   0.141460D+01  0.838710D+00  0.913559D+00 -0.125667D+02  0.208913D+02
      3  -0.116142D+01 -0.123130D+01 -0.920779D+00 -0.159920D+02  0.127139D+02
               376           377           378           379           380 
      1   0.434305D+00  0.743575D+01 -0.406049D+01  0.747422D+01 -0.691429D+01
      2  -0.299609D+00  0.110930D+02 -0.214982D+02 -0.353261D+01  0.137274D+01
      3  -0.114086D+01  0.915163D+01 -0.110192D+02  0.897622D+01 -0.991376D+01
               381           382           383           384           385 
      1  -0.513266D+01 -0.712976D+01  0.107855D+02  0.702779D+01 -0.406304D+01
      2   0.106793D+02 -0.622957D+00 -0.730692D+01 -0.866428D+01  0.228759D+01
      3  -0.776351D+01 -0.649589D+01  0.142445D+02  0.115443D+02 -0.332119D+01
               386           387           388           389           390 
      1   0.640334D+01  0.518478D+01 -0.298786D+01 -0.223398D+01 -0.392135D+01
      2  -0.335609D+01 -0.943907D+01  0.104178D+02  0.831224D+01  0.131080D+02
      3   0.765627D+01  0.651606D+01  0.262110D+01 -0.506520D+01 -0.545989D+01
               391           392           393           394           395 
      1  -0.344499D+01 -0.214860D+01 -0.264691D+01 -0.344470D+01 -0.638493D+00
      2   0.858276D+01  0.669620D+01  0.495979D+01  0.113529D+02  0.536774D+01
      3  -0.540389D+01 -0.599382D+01 -0.445578D+01 -0.524020D+01 -0.767022D+01
               396           397           398           399           400 
      1  -0.100227D+02  0.585190D+01 -0.365730D+01 -0.262404D+01 -0.648518D+01
      2   0.334341D+02 -0.177803D+01  0.351581D+01  0.100885D+02  0.833528D+01
      3  -0.175150D+01  0.214497D+02 -0.150963D+02 -0.780134D+01 -0.225179D+02
               401           402           403           404           405 
      1   0.464965D+01  0.197214D+01 -0.450412D+01  0.264340D+01  0.234022D+01
      2  -0.465429D+01 -0.812782D+01  0.102236D+02 -0.132610D+01 -0.784457D+01
      3   0.174224D+02  0.104230D+02 -0.872952D+01  0.881453D+01  0.563239D+01
               406           407           408           409           410 
      1   0.739707D+00 -0.400316D+00 -0.692638D+00 -0.465977D+00 -0.243945D+01
      2  -0.506915D+01 -0.620654D+00  0.301958D+01 -0.483880D+01 -0.167547D+02
      3  -0.221002D+01 -0.245247D+01 -0.424422D-01 -0.105815D+02 -0.299671D+02
               411           412           413           414           415 
      1  -0.319981D+01 -0.166956D+01  0.109709D+01  0.279960D+01 -0.585517D+01
      2   0.176171D+02  0.854931D+01  0.154378D+02 -0.182668D+02 -0.223831D+01
      3   0.168969D+02  0.419090D+01  0.185526D+02 -0.142842D+02 -0.210422D+02
               416           417           418           419           420 
      1   0.483914D+01  0.760591D+01  0.461504D+01 -0.681762D+01 -0.532866D+01
      2  -0.618631D+00 -0.238617D+01 -0.157643D+01  0.218620D+01  0.538815D+00
      3   0.188422D+02  0.831361D+01  0.207247D+02 -0.186197D+02 -0.745539D+01
               421           422           423           424           425 
      1   0.560831D+01 -0.483130D+01 -0.636172D+01 -0.625242D+00 -0.306559D+00
      2  -0.341857D+01  0.263603D+01  0.241215D+01 -0.248085D-01 -0.127638D+01
      3   0.145828D+02 -0.147205D+02 -0.105280D+02  0.346392D+01 -0.773582D+01
               426           427           428           429           430 
      1  -0.396502D+01 -0.803948D+00 -0.244669D+01 -0.367638D+01 -0.128639D+01
      2   0.412491D+01  0.431711D+01  0.253413D+00  0.315804D+01 -0.146248D+01
      3   0.142875D+01 -0.170242D+00 -0.108664D+02 -0.916672D-01  0.579897D+00
               431           432           433           434           435 
      1  -0.162596D+01  0.157003D+01  0.345033D+01 -0.679907D+00  0.797854D+01
      2   0.227461D+01 -0.190785D+01 -0.487746D+01  0.247113D+01 -0.749986D+01
      3  -0.198585D+01 -0.192126D+01 -0.597326D+01  0.579928D+01 -0.699918D+01
               436           437           438           439           440 
      1  -0.456253D-01  0.245634D+01 -0.142791D+00  0.529824D+01 -0.182665D+01
      2   0.470203D+00 -0.258467D+01  0.851932D+00 -0.964127D+01  0.721032D+01
      3   0.391896D+01 -0.706611D+00  0.226040D+01 -0.104263D+02  0.863587D+01
               441           442           443           444           445 
      1   0.232058D+02 -0.245332D+00  0.656950D+00 -0.612680D+00  0.141517D+01
      2  -0.210989D+02  0.416353D+01 -0.143770D+01  0.785554D+00 -0.941290D+00
      3  -0.146406D+02  0.935187D+00 -0.113115D+01  0.125044D+01 -0.885030D+00
               446           447           448           449           450 
      1   0.116893D+02  0.376436D+01  0.423049D+00  0.742154D+01  0.408227D+01
      2   0.125742D+02  0.209041D+02 -0.332514D+00  0.111035D+02  0.214502D+02
      3  -0.160042D+02 -0.126940D+02  0.117633D+01 -0.913956D+01 -0.110107D+02
               451           452           453           454           455 
      1  -0.749174D+01 -0.360155D+01  0.754485D+00 -0.382041D+01 -0.347046D+01
      2   0.231501D+02  0.768975D+01 -0.799650D+01  0.808072D+01  0.669688D+01
      3   0.123215D+02  0.314382D+01  0.155462D+01  0.513566D+01  0.296164D+01
               456           457           458           459           460 
      1   0.834528D+00  0.117101D+01  0.247135D+01 -0.997224D+00 -0.746359D+01
      2  -0.263537D+01 -0.503850D+01 -0.666244D+00  0.303813D+01  0.354622D+01
      3  -0.237807D+01  0.159504D+01 -0.148250D+01  0.128065D+01  0.895718D+01
               461           462           463           464           465 
      1   0.690153D+01 -0.514471D+01  0.710826D+01 -0.107607D+02  0.703796D+01
      2  -0.138671D+01  0.107005D+02  0.617084D+00  0.732106D+01 -0.867348D+01
      3  -0.988575D+01  0.776621D+01 -0.645250D+01  0.141944D+02 -0.115417D+02
               466           467           468           469           470 
      1  -0.407510D+01  0.641710D+01 -0.520685D+01 -0.731118D+00  0.399253D+00
      2   0.229676D+01 -0.336701D+01  0.948891D+01  0.506651D+01  0.611166D+00
      3   0.332034D+01 -0.766666D+01  0.653678D+01 -0.221456D+01 -0.243733D+01
               471           472           473           474           475 
      1  -0.692466D+00  0.472728D+00  0.245643D+01 -0.318879D+01 -0.166864D+01
      2   0.301911D+01  0.483673D+01  0.167766D+02  0.176361D+02  0.855401D+01
      3   0.478995D-01 -0.105753D+02 -0.299904D+02 -0.169193D+02 -0.416326D+01
               476           477           478           479           480 
      1   0.111463D+01 -0.278390D+01 -0.585472D+01  0.366550D+01 -0.263176D+01
      2   0.154169D+02  0.182465D+02  0.178381D+01 -0.353561D+01  0.100937D+02
      3  -0.185434D+02 -0.142578D+02  0.213853D+02 -0.150842D+02  0.782126D+01
               481           482           483           484           485 
      1   0.650122D+01 -0.466799D+01  0.198972D+01 -0.452525D+01  0.266204D+01
      2  -0.836790D+01  0.468191D+01 -0.815975D+01  0.102621D+02 -0.135511D+01
      3  -0.225116D+02  0.174371D+02 -0.104662D+02  0.877315D+01 -0.884414D+01
               486           487           488           489           490 
      1  -0.235994D+01  0.322759D+01  0.225406D+01 -0.370589D+01  0.341161D+01
      2   0.789706D+01 -0.111561D+02 -0.840376D+01  0.124541D+02 -0.851207D+01
      3   0.568247D+01  0.236157D+01 -0.504717D+01  0.529544D+01 -0.530174D+01
               491           492           493           494           495 
      1   0.216563D+01 -0.263331D+01 -0.322406D+01 -0.592333D+00  0.102462D+02
      2  -0.675771D+01  0.486652D+01  0.106845D+02  0.518096D+01 -0.342083D+02
      3  -0.594883D+01  0.455932D+01  0.503758D+01  0.771089D+01 -0.179316D+01
               496           497           498           499           500 
      1  -0.326147D+00 -0.426477D+01 -0.220482D+01 -0.460310D+01 -0.179119D+01
      2   0.567838D+01  0.272264D+01  0.147116D+02  0.319375D+01  0.240348D+01
      3  -0.169390D+01 -0.108493D+02 -0.254485D+01 -0.345166D+01 -0.690321D+00
               501           502           503           504           505 
      1  -0.223789D+01  0.426836D+00 -0.374803D+00 -0.646469D+00  0.161282D+01
      2   0.479685D+01  0.106738D+02  0.339737D+01  0.395136D+01 -0.582632D+01
      3  -0.185853D-01 -0.509807D+01 -0.215928D+01 -0.232205D+01  0.209498D+01
               506           507           508           509           510 
      1   0.269578D+01  0.137139D+01  0.957302D+00  0.556453D+01  0.312258D+01
      2  -0.431749D+01 -0.113504D+02 -0.470129D+00 -0.104307D+02 -0.165756D+02
      3   0.340639D+01  0.353270D+01  0.257832D+01  0.102231D+02  0.101405D+02
               511           512           513           514           515 
      1  -0.175551D+01  0.546703D+01  0.599171D+01  0.177505D+01 -0.179529D-01
      2  -0.215497D+01 -0.120796D+02 -0.324209D+02 -0.148686D+02  0.723746D+01
      3   0.365862D+00  0.849789D+01  0.134598D+02 -0.126101D+02  0.690546D+01
               516           517           518           519           520 
      1   0.704012D+01  0.856910D-01  0.965840D+00 -0.133352D+01  0.313644D+01
      2  -0.174825D+02  0.175745D+01 -0.678232D+01  0.535191D+01 -0.667164D+01
      3  -0.111672D+02  0.335972D+01 -0.637067D+01  0.733777D+01 -0.568244D+01
               521           522           523           524           525 
      1   0.511352D-01  0.782196D+01  0.624667D-01 -0.573581D+01 -0.252993D+01
      2   0.105252D+02 -0.235411D+02  0.336718D+01  0.133932D+01  0.540888D+01
      3   0.774269D+01 -0.133145D+02 -0.354835D+01 -0.148498D+02  0.159640D+01
               526           527           528           529           530 
      1  -0.233321D+01 -0.390672D+01 -0.420221D+01 -0.129518D+01  0.634826D+00
      2  -0.616470D+01 -0.536074D+01  0.810828D+01 -0.633524D+01  0.297218D+01
      3  -0.983275D+01 -0.200099D+02  0.644059D+01 -0.136400D+01  0.591419D+01
               531           532           533           534           535 
      1  -0.597738D+00  0.910515D+00  0.338172D+00  0.185648D+01 -0.229150D+01
      2  -0.291273D+01  0.137419D+01 -0.223264D+01  0.640387D+01 -0.276448D+01
      3  -0.407859D+01  0.492536D+01 -0.119025D+02  0.159733D+01 -0.127499D+02
               536           537           538           539           540 
      1   0.106451D+01 -0.264896D+01 -0.195162D+01  0.191355D+01  0.105276D+01
      2   0.303451D+01 -0.369379D+01  0.642662D+01 -0.318832D+01  0.308878D+01
      3   0.262680D+02 -0.235662D+01  0.380779D+01 -0.287152D+01  0.358283D+01
               541           542           543           544           545 
      1   0.597249D+00  0.295582D+00 -0.396640D+01  0.797643D+00  0.242218D+01
      2   0.354545D-01  0.129113D+01  0.412592D+01 -0.429786D+01 -0.248743D+00
      3   0.351431D+01 -0.775909D+01 -0.141603D+01 -0.214654D+00 -0.108227D+02
               546           547           548           549           550 
      1  -0.367486D+01 -0.128835D+01 -0.162681D+01 -0.157544D+01  0.584685D+01
      2   0.315940D+01 -0.145837D+01  0.227940D+01  0.191202D+01  0.220952D+01
      3   0.930377D-01 -0.568306D+00  0.197371D+01 -0.192348D+01 -0.209593D+02
               551           552           553           554           555 
      1  -0.484365D+01  0.761486D+01 -0.460756D+01  0.683322D+01 -0.534722D+01
      2   0.638853D+00 -0.240156D+01  0.158718D+01 -0.221207D+01  0.554583D+00
      3   0.188246D+02 -0.832875D+01  0.206935D+02 -0.186384D+02  0.747749D+01
               556           557           558           559           560 
      1   0.561253D+01 -0.485102D+01  0.639281D+01 -0.346073D+01  0.680927D+00
      2  -0.343662D+01  0.265951D+01 -0.243911D+01  0.489510D+01 -0.248091D+01
      3  -0.145801D+02  0.147570D+02 -0.105584D+02 -0.599245D+01  0.582784D+01
               561           562           563           564           565 
      1   0.799644D+01  0.479587D-01 -0.245390D+01 -0.148856D+00  0.531338D+01
      2  -0.751263D+01 -0.485575D+00  0.259510D+01  0.860053D+00 -0.964718D+01
      3   0.702110D+01  0.392895D+01 -0.734801D+00 -0.227481D+01  0.104407D+02
               566           567 
      1  -0.182758D+01 -0.231878D+02
      2   0.720259D+01  0.210717D+02
      3  -0.863950D+01 -0.146452D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103332D+03 -0.139762D+02  0.277938D+02 -0.121673D+02  0.285572D+02
      2   0.613128D+02  0.166906D+02 -0.881737D+01  0.696135D+01 -0.181002D+02
      3   0.420191D+02 -0.271444D+01 -0.189765D+02  0.520593D+01 -0.104570D+02
      4  -0.994010D+01  0.125981D+02  0.510991D+01  0.214155D+02 -0.113361D+02
      5   0.396389D+02  0.667918D+01  0.121804D+02  0.118451D+00 -0.294206D+01
      6  -0.233585D+00 -0.507501D+01 -0.211636D+01 -0.456685D+01  0.308223D+01
                 6             7             8             9            10 
      1   0.101565D+02 -0.341752D+01  0.495712D+01  0.232997D+02 -0.843992D+01
      2   0.468902D+01  0.958168D+01  0.686826D+01 -0.840168D+01  0.836335D+01
      3  -0.148456D+02 -0.616416D+01 -0.118254D+02 -0.148980D+02  0.765786D-01
      4   0.227245D+01 -0.620799D+01 -0.539337D+01  0.305408D+02  0.108082D+02
      5   0.316540D+02  0.253721D+02  0.319164D+02 -0.676459D+01 -0.120058D+01
      6  -0.648096D-01  0.342788D+01  0.305722D+01 -0.118211D+02  0.248581D+01
                11            12            13            14            15 
      1   0.833533D+01 -0.596695D+01  0.158316D+02 -0.401758D+02  0.106501D+02
      2  -0.101160D+01  0.283105D+01 -0.240707D+01  0.230688D+02 -0.855177D+01
      3  -0.732373D+01  0.313590D+01 -0.134245D+02  0.171070D+02 -0.209835D+01
      4  -0.296273D+02  0.777186D+01 -0.498478D+02  0.426437D+01 -0.211728D+02
      5   0.121763D+02 -0.196777D+02  0.153681D+02 -0.190063D+02 -0.431549D+02
      6   0.276200D+01 -0.204344D+01 -0.161973D+01 -0.108974D+01 -0.755369D+01
                16            17            18            19            20 
      1   0.416011D+01  0.980137D+01 -0.312466D+02  0.835021D+02  0.537607D+02
      2  -0.818975D+01 -0.898714D+01  0.219756D+02 -0.528614D+02 -0.421946D+02
      3   0.402964D+01 -0.814227D+00  0.927108D+01 -0.306407D+02 -0.115661D+02
      4   0.761641D+01 -0.102142D+02 -0.295689D+02  0.429397D+02  0.773095D+02
      5  -0.497153D+02 -0.332047D+02  0.673673D+01 -0.534574D+01  0.252822D+01
      6  -0.652079D+01 -0.629798D+01  0.998894D+00  0.216628D+01 -0.564597D+01
                21            22            23            24            25 
      1   0.223586D+01  0.205966D+02  0.282768D+02 -0.239099D+01 -0.591829D+01
      2  -0.145666D+01 -0.863376D+01 -0.880927D+01  0.256275D+01  0.337588D+01
      3  -0.779196D+00 -0.119629D+02 -0.194675D+02 -0.171759D+00  0.254241D+01
      4   0.702088D+01  0.343265D+02  0.813664D+02  0.123577D+02  0.538394D+00
      5   0.139566D+02  0.692147D+00  0.995973D+01  0.160148D+02  0.288986D+02
      6  -0.481359D+00  0.434897D+01 -0.180399D+01  0.772806D+01 -0.175657D+01
                26            27            28            29            30 
      1   0.449930D+00  0.168584D+02 -0.266097D+02  0.196267D+02  0.631325D+00
      2  -0.390333D+00 -0.177400D+02  0.568332D+01 -0.195005D+02 -0.226803D+01
      3  -0.595968D-01  0.881639D+00  0.209263D+02 -0.126249D+00  0.163671D+01
      4   0.113124D+02  0.110912D+02 -0.845119D+01  0.319799D+02 -0.108207D+00
      5   0.155880D+02  0.613550D+01 -0.284620D+01 -0.389092D+01 -0.144369D+02
      6   0.723320D+01  0.122849D+01 -0.181297D+02 -0.797867D+01 -0.883997D+00
                31            32            33            34            35 
      1   0.454746D+02  0.469233D+02  0.288698D+00  0.859539D+01 -0.338734D+01
      2  -0.452473D+02 -0.474302D+02  0.116337D+01 -0.108485D+02 -0.248964D+01
      3  -0.227327D+00  0.506851D+00 -0.145207D+01  0.225312D+01  0.587698D+01
      4   0.197415D+02  0.278752D+02  0.177641D+01 -0.132389D+02  0.146783D+01
      5  -0.123879D+02 -0.200308D+01  0.199290D+01  0.155698D+02  0.169165D+02
      6  -0.717423D+01 -0.912794D+01 -0.631113D+01  0.469397D+01  0.312036D+01
                36            37            38            39            40 
      1   0.374071D+01 -0.311035D+02  0.973520D+01 -0.125144D+02  0.620113D+02
      2  -0.116572D+02  0.419799D+02  0.380401D+01  0.122142D+02 -0.277747D+02
      3   0.791646D+01 -0.108763D+02 -0.135392D+02  0.300205D+00 -0.342367D+02
      4   0.150550D+02  0.216047D+02  0.136775D+02  0.134957D+02  0.374306D+02
      5   0.508595D+01 -0.428373D+01  0.216123D+02 -0.275595D+02  0.275938D+02
      6  -0.413177D+01  0.109910D+02  0.792790D+01 -0.708871D+01  0.591541D+01
                41            42            43            44            45 
      1   0.119661D+02  0.273457D+02 -0.129731D+02  0.308056D+02 -0.424397D+02
      2  -0.211242D+01 -0.226365D+02  0.121415D+02 -0.264679D+02  0.306738D+02
      3  -0.985370D+01 -0.470923D+01  0.831620D+00 -0.433768D+01  0.117659D+02
      4   0.144316D+01 -0.117178D+02  0.388413D+02  0.502511D+01 -0.204521D+02
      5  -0.142651D+02  0.174231D+02 -0.485496D+02 -0.162295D+02  0.209211D+02
      6  -0.587152D+01  0.385932D+01 -0.191179D+02 -0.616755D+01  0.148540D+02
                46            47            48            49            50 
      1   0.715713D+01 -0.202381D+02  0.217639D+02 -0.270072D+02 -0.392413D+02
      2  -0.142743D+02 -0.701435D+01 -0.258423D+01  0.109641D+01  0.176994D+02
      3   0.711719D+01  0.272524D+02 -0.191797D+02  0.259108D+02  0.215420D+02
      4  -0.368922D+02 -0.485389D+02  0.482615D+01 -0.619802D+02 -0.175296D+02
      5   0.127407D+02  0.457144D+01  0.182408D+02  0.962285D+01  0.260539D+02
      6   0.139735D+02  0.895248D+01  0.152148D+02  0.154490D+02  0.104077D+02
                51            52            53            54            55 
      1  -0.418851D+01  0.185285D+00 -0.206174D+02  0.393882D+02 -0.287614D+02
      2   0.395621D+01  0.808831D+01  0.132390D+02 -0.265749D+02 -0.382600D+01
      3   0.232304D+00 -0.827360D+01  0.737846D+01 -0.128133D+02  0.325874D+02
      4   0.199063D+02 -0.208459D+02 -0.585529D+01  0.995490D+01 -0.538347D+02
      5  -0.602641D+01  0.376703D+02  0.543481D+01 -0.285874D+02  0.106819D+02
      6  -0.786961D+01  0.204532D+02 -0.331350D+01 -0.676739D+01 -0.738251D+01
                56            57            58            59            60 
      1  -0.612012D+02  0.991537D+01 -0.882283D+02  0.840601D+01 -0.286135D+02
      2   0.374653D+02 -0.176923D+02  0.515114D+02 -0.134165D+02  0.151551D+02
      3   0.237359D+02  0.777697D+01  0.367169D+02  0.501052D+01  0.134584D+02
      4  -0.819850D+01 -0.145095D+02  0.323308D+01  0.113516D+02  0.271105D+02
      5  -0.231547D+02  0.411631D+02 -0.274204D+02  0.305196D+02  0.237813D+02
      6  -0.146700D+01  0.369487D+01  0.163838D+01  0.308853D+01  0.124567D+02
                61            62            63            64            65 
      1   0.288469D+02 -0.227484D+02  0.501551D+02  0.374303D+02  0.298396D+01
      2  -0.258898D+02  0.149213D+02 -0.202940D+02 -0.210587D+02  0.482236D+00
      3  -0.295702D+01  0.782705D+01 -0.298611D+02 -0.163716D+02 -0.346620D+01
      4  -0.545345D+01  0.275057D+02  0.328470D+02  0.177986D+02 -0.330330D+02
      5   0.526143D+02  0.241419D+02 -0.429700D+01  0.145537D+02 -0.388270D+01
      6   0.863172D+01  0.953762D+01  0.409172D+01  0.250792D+02  0.511014D+01
                66            67            68            69            70 
      1   0.441022D+01  0.644538D+00 -0.157056D+02 -0.112001D+01  0.421815D+01
      2  -0.248333D+01 -0.262700D+01  0.185285D+02  0.189661D+00 -0.374901D+01
      3  -0.192689D+01  0.198246D+01 -0.282290D+01  0.930347D+00 -0.469146D+00
      4  -0.448448D+01  0.271869D+02  0.228661D+02  0.257898D+01  0.137056D+01
      5   0.167579D+02  0.978026D+01  0.382136D+01  0.450326D+01 -0.496080D+01
      6  -0.205898D+00  0.623202D+01  0.162321D+01  0.584396D+01  0.194783D+01
                71            72            73            74            75 
      1   0.243819D+00 -0.301388D+01 -0.788246D+02  0.645966D+00 -0.901787D-02
      2  -0.154838D+00  0.131127D+01  0.306701D+02 -0.483215D+01 -0.946848D-03
      3  -0.889811D-01  0.170261D+01  0.481545D+02  0.418619D+01  0.996472D-02
      4  -0.102999D+01  0.370268D+01 -0.789509D+01 -0.303088D+02  0.355217D-02
      5   0.164657D+01  0.119998D+01  0.273815D-01  0.351002D-02 -0.248942D+02
      6   0.647465D+01  0.118982D+01  0.194634D-01  0.978800D-02 -0.470275D+01
                76            77            78            79            80 
      1  -0.890599D+01 -0.139621D+02  0.421679D-02  0.310792D-01  0.897714D-02
      2   0.130496D+02  0.908781D+01 -0.396293D-02 -0.227400D-01 -0.715866D-02
      3  -0.414364D+01  0.487431D+01 -0.253861D-03 -0.833923D-02 -0.181848D-02
      4  -0.613134D+02  0.102612D+02  0.858008D-02  0.424283D-01  0.330465D-01
      5   0.368371D-01  0.119309D-01  0.260838D+01  0.350407D+02  0.189694D+01
      6  -0.328146D-01 -0.313545D-02  0.181312D+01  0.145320D+02  0.782078D+01
                81            82            83            84            85 
      1  -0.265998D+02 -0.160263D+02 -0.658302D+02 -0.126732D+02  0.114738D+02
      2  -0.219177D+01  0.248074D+02  0.592863D+02  0.836085D+01 -0.847876D+01
      3   0.287916D+02 -0.878108D+01  0.654392D+01  0.431234D+01 -0.299499D+01
      4  -0.555131D+00 -0.459912D+02 -0.850765D+01 -0.342345D+01  0.350723D+02
      5   0.152558D-01  0.436651D+01 -0.169551D+01  0.229678D+02 -0.787771D+01
      6   0.202191D-02  0.303490D+02  0.341259D+01  0.117248D+02 -0.168312D+02
                86            87            88            89            90 
      1  -0.856332D+01 -0.112784D+01 -0.271090D+01  0.840950D+00 -0.763796D+01
      2   0.115682D+02  0.111398D-02  0.899260D+00 -0.261493D+01  0.419100D+01
      3  -0.300493D+01  0.112672D+01  0.181164D+01  0.177398D+01  0.344697D+01
      4   0.215033D+01  0.100964D+00  0.384525D+01  0.301353D+01 -0.157151D+01
      5  -0.854449D+00 -0.172500D+01 -0.619178D+01  0.219233D+01  0.172826D+00
      6   0.297401D+01  0.407211D+01 -0.450409D+01  0.827598D+01  0.210006D+01
                91            92            93            94            95 
      1  -0.181059D+02  0.232974D+02  0.590865D+01 -0.932751D+02 -0.949468D+02
      2  -0.351699D+01 -0.232009D+02 -0.342878D+01  0.829356D+02  0.701428D+02
      3   0.216229D+02 -0.964889D-01 -0.247987D+01  0.103395D+02  0.248040D+02
      4   0.324204D+02 -0.335397D+02 -0.134679D+01 -0.104042D+03 -0.149358D+03
      5  -0.775037D+00 -0.170008D+01 -0.252088D+02 -0.126694D+02 -0.136423D+02
      6  -0.200263D+02 -0.857540D-01 -0.848828D+01  0.636327D+01  0.395195D+01
                96            97            98            99           100 
      1  -0.980219D+01 -0.209348D+02 -0.138651D+02 -0.258640D+02 -0.214798D+02
      2   0.793009D+01  0.157564D+02  0.715626D+01  0.128496D+02  0.223181D+02
      3   0.187210D+01  0.517835D+01  0.670889D+01  0.130144D+02 -0.838322D+00
      4  -0.182271D+02 -0.154142D+02 -0.187380D+02 -0.276939D+02 -0.279281D+02
      5  -0.225339D+02 -0.721142D+01 -0.253840D+02 -0.107530D+02 -0.186299D+00
      6  -0.891279D+00  0.180581D+01  0.133191D+02  0.258034D+01  0.136622D+01
               101           102           103           104           105 
      1  -0.200589D+02  0.183908D+00  0.247327D+02  0.486536D+02  0.101509D+02
      2   0.133903D+02 -0.287410D+01 -0.448456D+02 -0.413002D+02 -0.604250D+01
      3   0.666864D+01  0.269019D+01  0.201130D+02 -0.735335D+01 -0.410837D+01
      4  -0.316533D+02 -0.440896D+01  0.624092D+02  0.181777D+02  0.980007D+00
      5  -0.186587D+01 -0.151078D+02  0.108151D+02  0.926598D+00 -0.362620D+01
      6  -0.308355D+01  0.101067D+02 -0.129207D+02  0.619208D+00 -0.818012D+01
               106           107           108           109           110 
      1   0.122900D+02  0.220938D+01 -0.426366D+01  0.226740D+02  0.102987D+02
      2  -0.138157D+02  0.286447D+01 -0.120399D+01 -0.122894D+02 -0.174227D+02
      3   0.152570D+01 -0.507385D+01  0.546766D+01 -0.103846D+02  0.712395D+01
      4   0.723034D+01 -0.110073D+02  0.151858D+02 -0.109109D+02  0.369656D+02
      5  -0.103100D+02  0.101401D+02 -0.123700D+01  0.145235D+02 -0.308884D+01
      6   0.113477D+02 -0.143910D+02  0.284258D-02 -0.117376D+02  0.285882D+01
               111           112           113           114           115 
      1   0.111716D+02 -0.417271D+01 -0.192529D+02  0.281818D+01  0.111114D+02
      2  -0.567666D+01  0.606605D+00  0.308773D+02 -0.778850D+01 -0.869818D+01
      3  -0.549498D+01  0.356610D+01 -0.116244D+02  0.497032D+01 -0.241320D+01
      4  -0.851331D+01  0.744979D+01 -0.385647D+02  0.100937D+02 -0.848516D+01
      5   0.117401D+02 -0.545945D+01  0.908506D+01 -0.539577D+01  0.166343D+02
      6  -0.841766D+01  0.476171D+01 -0.117526D+02  0.108440D+02 -0.136548D+02
               116           117           118           119           120 
      1   0.165813D+02  0.298066D+00  0.696888D+01 -0.300880D+02  0.661371D+01
      2  -0.213313D+02  0.110940D+01 -0.318259D+02  0.459848D+01 -0.203557D+02
      3   0.475002D+01 -0.140746D+01  0.248570D+02  0.254896D+02  0.137420D+02
      4   0.330470D+02 -0.180157D+02 -0.425386D+02 -0.425244D+02 -0.811041D+01
      5  -0.135474D+02  0.290102D+02  0.276524D+00 -0.157132D+02  0.209381D+02
      6   0.185678D+02 -0.277740D+02 -0.366839D+00 -0.147309D+02  0.175577D+02
               121           122           123           124           125 
      1  -0.240780D+02 -0.219333D+02 -0.225280D+02  0.769539D+01 -0.214161D+02
      2   0.556862D+01  0.959096D+01  0.226369D+02 -0.176238D+02  0.274558D+02
      3   0.185094D+02  0.123424D+02 -0.108837D+00  0.992838D+01 -0.603972D+01
      4  -0.373449D+02 -0.102149D+02  0.274602D+01 -0.819550D+01  0.339019D+01
      5  -0.159470D+02  0.867413D+01 -0.406650D+01  0.202391D+02 -0.250899D+01
      6  -0.114538D+02  0.151579D+02 -0.323547D+00  0.177941D+02 -0.336917D+01
               126           127           128           129           130 
      1   0.319212D+02  0.203457D+02  0.626300D+02 -0.718804D+01  0.957949D+02
      2  -0.994191D+01  0.181678D+01 -0.379166D+02  0.126621D+02 -0.595151D+02
      3  -0.219792D+02 -0.221625D+02 -0.247134D+02 -0.547408D+01 -0.362797D+02
      4   0.127111D+02  0.636898D+02  0.677742D+00  0.221655D+02 -0.223451D+02
      5  -0.173396D+02 -0.578971D+01  0.274673D+02 -0.314778D+02  0.328740D+02
      6  -0.224514D+02  0.100841D+02  0.115524D+01 -0.265933D+01 -0.629596D+01
               131           132           133           134           135 
      1  -0.155242D+02  0.403918D+02 -0.119876D+02  0.310456D+02 -0.409389D+02
      2   0.942062D+01 -0.245974D+02  0.146574D+02 -0.187044D+02  0.941652D+01
      3   0.610359D+01 -0.157944D+02 -0.266982D+01 -0.123412D+02  0.315224D+02
      4  -0.222711D+02 -0.341099D+02  0.154882D+02 -0.323897D+02 -0.415747D+02
      5  -0.383009D+02 -0.270833D+02 -0.456231D+02 -0.327947D+02  0.104978D+02
      6  -0.130448D+02 -0.182819D+02 -0.912105D+01 -0.175420D+02 -0.315568D+01
               136           137           138           139           140 
      1   0.352697D+02  0.347633D+02 -0.614273D+01  0.448345D+02  0.104590D+00
      2  -0.875268D+01 -0.248506D+02  0.127444D+02 -0.302080D+02  0.135936D+02
      3  -0.265170D+02 -0.991262D+01 -0.660168D+01 -0.146265D+02 -0.136981D+02
      4   0.397143D+02 -0.457508D+01  0.180286D+02 -0.148058D+02 -0.736933D+01
      5   0.741923D+00  0.307320D+02 -0.291757D+02  0.327305D+02 -0.399739D+02
      6   0.162678D+02 -0.497937D+01  0.557870D+01 -0.119425D+02 -0.909829D+01
               141           142           143           144           145 
      1   0.314552D+02 -0.530135D+01  0.242046D+02 -0.283339D+02  0.374441D+02
      2  -0.111703D+02  0.145354D+02 -0.552870D+01  0.475868D+01 -0.210733D+02
      3  -0.202849D+02 -0.923405D+01 -0.186759D+02  0.235752D+02 -0.163708D+02
      4  -0.360338D+02  0.113974D+02 -0.244373D+02 -0.206119D+02  0.178288D+02
      5  -0.102509D+02 -0.308891D+02 -0.138799D+02  0.104160D+01 -0.145791D+02
      6  -0.289320D+02  0.165094D+01 -0.198558D+02 -0.103755D+02 -0.251028D+02
               146           147           148           149           150 
      1   0.299764D+01 -0.444877D+01  0.606704D+00 -0.156968D+02  0.113648D+01
      2   0.476968D+00  0.248820D+01 -0.262343D+01  0.185084D+02 -0.194478D+00
      3  -0.347461D+01  0.196057D+01  0.201672D+01 -0.281152D+01 -0.942006D+00
      4  -0.330228D+02  0.448659D+01  0.271800D+02  0.228199D+02 -0.258998D+01
      5   0.387057D+01  0.167628D+02 -0.977188D+01 -0.382803D+01  0.450320D+01
      6  -0.508379D+01 -0.197428D+00 -0.618877D+01 -0.165328D+01  0.584457D+01
               151           152           153           154           155 
      1  -0.419568D+01 -0.221192D+00 -0.301836D+01 -0.267246D+02  0.195311D+02
      2   0.373241D+01  0.149229D+00  0.130599D+01  0.576291D+01 -0.194406D+02
      3   0.463268D+00  0.719623D-01  0.171237D+01  0.209616D+02 -0.905080D-01
      4  -0.137504D+01  0.983951D+00  0.370080D+01 -0.855124D+01  0.319295D+02
      5  -0.495195D+01  0.164490D+01 -0.120583D+01  0.286722D+01  0.393189D+01
      6   0.195396D+01  0.646198D+01 -0.121108D+01  0.180874D+02  0.795460D+01
               156           157           158           159           160 
      1  -0.584434D+00  0.454203D+02  0.469695D+02 -0.285842D+00 -0.858678D+01
      2   0.224867D+01 -0.452180D+02 -0.474778D+02 -0.116535D+01  0.108254D+02
      3  -0.166424D+01 -0.202334D+00  0.508278D+00  0.145120D+01 -0.223867D+01
      4   0.133211D+00  0.197931D+02  0.279915D+02 -0.176038D+01  0.133350D+02
      5  -0.144637D+02  0.123661D+02  0.198878D+01  0.202215D+01  0.155122D+02
      6  -0.885179D+00  0.718759D+01  0.913835D+01 -0.630189D+01  0.472298D+01
               161           162           163           164           165 
      1   0.344549D+01  0.369093D+01 -0.311298D+02  0.975336D+01  0.125544D+02
      2   0.245583D+01 -0.116104D+02  0.419831D+02  0.380656D+01 -0.122310D+02
      3  -0.590132D+01  0.791944D+01 -0.108533D+02 -0.135599D+02 -0.323385D+00
      4  -0.141816D+01  0.150370D+02  0.216114D+02  0.136887D+02 -0.134645D+02
      5   0.168986D+02 -0.507745D+01  0.435914D+01 -0.215790D+02 -0.274697D+02
      6   0.312580D+01  0.413411D+01 -0.109758D+02 -0.791890D+01 -0.705036D+01
               166           167           168           169           170 
      1   0.620056D+02  0.119435D+02 -0.273344D+02  0.130615D+02 -0.307912D+02
      2  -0.277388D+02 -0.208206D+01  0.226143D+02 -0.121645D+02  0.264599D+02
      3  -0.342668D+02 -0.986141D+01  0.472010D+01 -0.897006D+00  0.433128D+01
      4   0.374142D+02  0.143558D+01  0.116962D+02 -0.388667D+02 -0.508323D+01
      5  -0.275700D+02  0.142449D+02  0.173160D+02 -0.484429D+02 -0.163011D+02
      6  -0.592124D+01  0.587409D+01  0.382923D+01 -0.191167D+02 -0.621758D+01
               171           172           173           174           175 
      1  -0.423229D+02 -0.286544D+02 -0.613103D+02 -0.100564D+02 -0.883385D+02
      2   0.305751D+02 -0.392406D+01  0.375067D+02  0.177113D+02  0.515204D+02
      3   0.117478D+02  0.325785D+02  0.238037D+02 -0.765486D+01  0.368182D+02
      4  -0.205147D+02 -0.539118D+02 -0.826297D+01  0.144139D+02  0.319813D+01
      5  -0.210452D+02 -0.108415D+02  0.230619D+02  0.411037D+02  0.272670D+02
      6  -0.149162D+02  0.737169D+01  0.143912D+01  0.369352D+01 -0.166144D+01
               176           177           178           179           180 
      1   0.839783D+01  0.284840D+02 -0.290689D+02  0.226511D+02  0.500492D+02
      2  -0.133978D+02 -0.150378D+02  0.259609D+02 -0.148373D+02 -0.201967D+02
      3   0.499997D+01 -0.134462D+02  0.310799D+01 -0.781379D+01 -0.298526D+02
      4   0.113423D+02 -0.270768D+02  0.533159D+01 -0.274791D+02  0.329326D+02
      5  -0.304841D+02  0.239624D+02  0.525461D+02  0.242571D+02  0.446233D+01
      6  -0.308073D+01  0.124724D+02  0.863450D+01  0.954776D+01 -0.406987D+01
               181           182           183           184           185 
      1  -0.847211D+01  0.847939D+01  0.604034D+01  0.159936D+02 -0.401495D+02
      2   0.836342D+01 -0.112047D+01 -0.287664D+01 -0.250233D+01  0.230277D+02
      3   0.108697D+00 -0.735892D+01 -0.316371D+01 -0.134913D+02  0.171218D+02
      4   0.109163D+02 -0.295488D+02 -0.773160D+01 -0.498485D+02  0.428141D+01
      5   0.129641D+01 -0.121307D+02 -0.196235D+02 -0.152861D+02  0.189171D+02
      6  -0.247156D+01 -0.277104D+01 -0.203938D+01  0.160029D+01  0.108883D+01
               186           187           188           189           190 
      1  -0.105645D+02 -0.404653D+01 -0.978555D+01 -0.311698D+02  0.833642D+02
      2   0.852002D+01  0.814249D+01  0.901588D+01  0.219467D+02 -0.527745D+02
      3   0.204447D+01 -0.409596D+01  0.769676D+00  0.922307D+01 -0.305897D+02
      4   0.210947D+02 -0.759843D+01  0.101012D+02 -0.295927D+02  0.428584D+02
      5  -0.432040D+02 -0.496515D+02 -0.332375D+02 -0.684547D+01  0.538350D+01
      6  -0.756260D+01 -0.652657D+01 -0.629908D+01 -0.102539D+01 -0.216037D+01
               191           192           193           194           195 
      1   0.536829D+02 -0.220394D+01  0.205357D+02  0.282260D+02  0.242947D+01
      2  -0.421594D+02  0.143768D+01 -0.859897D+01 -0.878175D+01 -0.259196D+01
      3  -0.115235D+02  0.766260D+00 -0.119367D+02 -0.194443D+02  0.162488D+00
      4   0.772957D+02 -0.697913D+01  0.342482D+02  0.813347D+02 -0.123265D+02
      5  -0.248865D+01  0.139272D+02 -0.615815D+00 -0.988632D+01  0.159904D+02
      6   0.563938D+01 -0.481113D+00 -0.438583D+01  0.178224D+01  0.773685D+01
               196           197           198           199           200 
      1   0.605512D+01 -0.274604D+00  0.167859D+02 -0.103108D+03 -0.139903D+02
      2  -0.350155D+01  0.233190D+00 -0.176733D+02  0.612763D+02  0.167589D+02
      3  -0.255358D+01  0.414140D-01  0.887401D+00  0.418321D+02 -0.276855D+01
      4  -0.356405D+00 -0.111215D+02  0.110198D+02 -0.997455D+01  0.126455D+02
      5   0.288087D+02  0.154987D+02 -0.606661D+01 -0.399938D+02 -0.691033D+01
      6  -0.174658D+01  0.724443D+01 -0.122319D+01  0.171429D+00  0.505322D+01
               201           202           203           204           205 
      1  -0.281392D+02 -0.121227D+02  0.286437D+02 -0.105072D+02  0.299947D+01
      2   0.896105D+01  0.700176D+01 -0.181331D+02 -0.456426D+01 -0.939975D+01
      3   0.191781D+02  0.512098D+01 -0.105106D+02  0.150715D+02  0.640027D+01
      4  -0.535681D+01  0.215203D+02 -0.111874D+02 -0.245426D+01  0.598590D+01
      5   0.123858D+02 -0.437160D+00  0.281160D+01  0.320222D+02  0.255477D+02
      6  -0.208389D+01  0.453559D+01 -0.310003D+01  0.202485D-01  0.345838D+01
               206           207           208           209           210 
      1  -0.519251D+01  0.235404D+02  0.682230D+01 -0.201951D+02 -0.214648D+02
      2  -0.678179D+01 -0.845613D+01 -0.140778D+02 -0.704305D+01  0.246663D+01
      3   0.119743D+02 -0.150842D+02  0.725549D+01  0.272382D+02  0.189982D+02
      4   0.528301D+01  0.308464D+02 -0.369588D+02 -0.485664D+02 -0.477838D+01
      5   0.321567D+02  0.623589D+01 -0.125259D+02 -0.457151D+01  0.179453D+02
      6   0.311653D+01  0.117404D+02 -0.139258D+02 -0.896903D+01  0.151083D+02
               211           212           213           214           215 
      1  -0.267850D+02 -0.392166D+02  0.407627D+01  0.838274D-01  0.205670D+02
      2   0.957795D+00  0.176713D+02 -0.393482D+01 -0.821363D+01 -0.132608D+02
      3   0.258272D+02  0.215453D+02 -0.141448D+00  0.812980D+01 -0.730624D+01
      4  -0.619797D+02 -0.176018D+02 -0.199919D+02  0.208600D+02  0.579544D+01
      5  -0.970404D+01 -0.261146D+02 -0.587352D+01  0.373164D+02  0.547718D+01
      6  -0.155035D+02 -0.104650D+02 -0.783570D+01  0.203404D+02 -0.329925D+01
               216           217           218           219           220 
      1   0.389262D+02  0.353105D+02  0.348559D+02  0.627718D+01  0.449131D+02
      2  -0.263739D+02 -0.873270D+01 -0.248358D+02 -0.127494D+02 -0.301748D+02
      3  -0.125523D+02 -0.265778D+02 -0.100201D+02  0.647221D+01 -0.147382D+02
      4   0.992316D+01  0.397359D+02 -0.470355D+01 -0.178943D+02 -0.149770D+02
      5   0.288655D+02 -0.659850D+00 -0.306210D+02 -0.291395D+02 -0.325909D+02
      6   0.693067D+01 -0.162469D+02  0.505724D+01  0.550400D+01  0.120457D+02
               221           222           223           224           225 
      1  -0.103711D+00 -0.313658D+02  0.550619D+01 -0.240705D+02 -0.282920D+02
      2   0.137172D+02  0.110407D+02 -0.146041D+02  0.537984D+01  0.473424D+01
      3  -0.136135D+02  0.203250D+02  0.909787D+01  0.186906D+02  0.235578D+02
      4  -0.729219D+01  0.360821D+02 -0.112166D+02  0.244925D+02 -0.207738D+02
      5   0.400696D+02 -0.104802D+02 -0.309178D+02 -0.141037D+02 -0.108922D+01
      6   0.904011D+01 -0.289331D+02  0.157943D+01 -0.198562D+02  0.104492D+02
               226           227           228           229           230 
      1   0.199323D+02  0.628070D+02  0.749537D+01  0.961037D+02 -0.154528D+02
      2   0.209350D+01 -0.379646D+02 -0.127943D+02 -0.596213D+02  0.936770D+01
      3  -0.220259D+02 -0.248424D+02  0.529889D+01 -0.364824D+02  0.608508D+01
      4   0.637949D+02  0.778099D+00 -0.220895D+02 -0.222046D+02 -0.222156D+02
      5   0.605545D+01 -0.274408D+02 -0.313461D+02 -0.328666D+02  0.381050D+02
      6  -0.998895D+01 -0.115438D+01 -0.269624D+01  0.625980D+01  0.130199D+02
               231           232           233           234           235 
      1  -0.404143D+02  0.122886D+02 -0.309955D+02 -0.408039D+02  0.709297D+01
      2   0.245517D+02 -0.147736D+02  0.186467D+02  0.933926D+01 -0.319337D+02
      3   0.158626D+02  0.248492D+01  0.123487D+02  0.314647D+02  0.248407D+02
      4   0.338926D+02 -0.153790D+02  0.322642D+02 -0.415672D+02 -0.424508D+02
      5  -0.270194D+02 -0.455141D+02 -0.328030D+02 -0.107936D+02 -0.358435D+00
      6  -0.182394D+02 -0.918282D+01 -0.175367D+02  0.314660D+01  0.311600D+00
               236           237           238           239           240 
      1  -0.300380D+02 -0.668007D+01 -0.240759D+02 -0.219220D+02  0.225209D+02
      2   0.453914D+01  0.203682D+02  0.554729D+01  0.953157D+01 -0.225967D+02
      3   0.254988D+02 -0.136881D+02  0.185286D+02  0.123904D+02  0.757829D-01
      4  -0.425680D+02  0.802920D+01 -0.373757D+02 -0.102754D+02 -0.274020D+01
      5   0.156915D+02  0.208889D+02  0.159497D+02 -0.865883D+01 -0.398976D+01
      6   0.147127D+02  0.174883D+02  0.114446D+02 -0.151426D+02 -0.244960D+00
               241           242           243           244           245 
      1  -0.778579D+01  0.213760D+02  0.318488D+02 -0.180605D+02  0.233913D+02
      2   0.176552D+02 -0.274238D+02 -0.979589D+01 -0.356849D+01 -0.232820D+02
      3  -0.986941D+01  0.604777D+01 -0.220529D+02  0.216290D+02 -0.109321D+00
      4   0.811031D+01 -0.338921D+01  0.127270D+02  0.324998D+02 -0.334162D+02
      5   0.202048D+02 -0.245869D+01  0.174328D+02  0.734095D+00  0.167938D+01
      6   0.177404D+02 -0.328695D+01  0.225286D+02  0.200573D+02  0.908278D-01
               246           247           248           249           250 
      1  -0.591639D+01 -0.931448D+02 -0.948817D+02  0.976961D+01  0.208981D+02
      2   0.343805D+01  0.828521D+02  0.701253D+02 -0.791653D+01 -0.157490D+02
      3   0.247833D+01  0.102927D+02  0.247563D+02 -0.185308D+01 -0.514903D+01
      4   0.134196D+01 -0.103960D+03 -0.149420D+03  0.182223D+02  0.154064D+02
      5  -0.251904D+02  0.126429D+02  0.136167D+02 -0.225348D+02 -0.719024D+01
      6  -0.849606D+01 -0.634785D+01 -0.391205D+01 -0.898536D+00  0.180856D+01
               251           252           253           254           255 
      1   0.138473D+02 -0.258467D+02 -0.214641D+02 -0.200816D+02 -0.175074D+00
      2  -0.715806D+01  0.128478D+02  0.223209D+02  0.134195D+02  0.287402D+01
      3  -0.668927D+01  0.129989D+02 -0.856813D+00  0.666212D+01 -0.269895D+01
      4   0.187151D+02 -0.277039D+02 -0.279464D+02 -0.316989D+02  0.440595D+01
      5  -0.253918D+02  0.107458D+02  0.193512D+00  0.186372D+01 -0.151189D+02
      6   0.133211D+02 -0.256942D+01 -0.136922D+01  0.309344D+01  0.101110D+02
               256           257           258           259           260 
      1   0.246860D+02  0.486784D+02 -0.101610D+02 -0.122813D+02 -0.221205D+01
      2  -0.448182D+02 -0.413516D+02  0.605409D+01  0.138252D+02 -0.287913D+01
      3   0.201322D+02 -0.732677D+01  0.410687D+01 -0.154391D+01  0.509119D+01
      4   0.624200D+02  0.182634D+02 -0.978327D+00 -0.724884D+01  0.110293D+02
      5  -0.108297D+02 -0.929401D+00 -0.362825D+01 -0.103226D+02  0.101481D+02
      6   0.129285D+02 -0.625755D+00 -0.817223D+01  0.113511D+02 -0.143920D+02
               261           262           263           264           265 
      1  -0.426964D+01  0.227153D+02  0.104004D+02 -0.111799D+02 -0.411132D+01
      2  -0.119468D+01 -0.123233D+02 -0.175612D+02  0.567921D+01  0.530486D+00
      3   0.546433D+01 -0.103920D+02  0.716075D+01  0.550074D+01  0.358084D+01
      4   0.151988D+02 -0.109089D+02  0.371905D+02  0.851751D+01  0.755417D+01
      5   0.120736D+01 -0.145334D+02  0.308657D+01  0.117483D+02  0.545868D+01
      6   0.101707D-01  0.117378D+02 -0.288252D+01 -0.842499D+01 -0.477342D+01
               266           267           268           269           270 
      1  -0.190112D+02 -0.281661D+01 -0.111049D+02 -0.165263D+02  0.315474D+00
      2   0.306147D+02  0.778301D+01  0.868359D+01  0.212798D+02  0.110109D+01
      3  -0.116035D+02 -0.496639D+01  0.242131D+01 -0.475351D+01 -0.141656D+01
      4  -0.382484D+02 -0.100952D+02  0.851502D+01 -0.329896D+02 -0.180271D+02
      5  -0.909787D+01 -0.539913D+01  0.166478D+02 -0.135588D+02 -0.290099D+02
      6   0.117182D+02  0.108442D+02 -0.136639D+02  0.185610D+02  0.277625D+02
               271           272           273           274           275 
      1  -0.160343D+02 -0.658875D+02  0.126627D+02  0.114813D+02 -0.860689D+01
      2   0.248455D+02  0.593447D+02 -0.836448D+01 -0.850428D+01  0.116130D+02
      3  -0.881120D+01  0.654274D+01 -0.429824D+01 -0.297706D+01 -0.300607D+01
      4  -0.460413D+02 -0.859387D+01  0.342345D+01  0.350764D+02  0.213745D+01
      5  -0.434691D+01  0.171306D+01  0.229682D+02  0.784825D+01  0.853382D+00
      6  -0.303464D+02 -0.341287D+01  0.117397D+02  0.168497D+02 -0.297047D+01
               276           277           278           279           280 
      1   0.112911D+01  0.271216D+01 -0.865931D+00 -0.763845D+01  0.325045D+02
      2  -0.188465D-02 -0.898963D+00  0.262639D+01  0.419756D+01 -0.242122D+02
      3  -0.112723D+01 -0.181320D+01 -0.176046D+01  0.344089D+01 -0.829229D+01
      4  -0.103071D+00 -0.388680D+01 -0.300972D+01 -0.157623D+01 -0.147343D+02
      5  -0.172384D+01 -0.617541D+01  0.219382D+01 -0.169378D+00  0.209942D+02
      6   0.407235D+01 -0.450251D+01  0.828315D+01 -0.209133D+01 -0.111173D+02
               281           282           283           284           285 
      1   0.139026D+02  0.825870D+01  0.424633D+01 -0.525565D+01  0.552621D+01
      2  -0.184221D+02 -0.546495D+01 -0.568183D+01  0.992350D+01 -0.767351D+01
      3   0.451943D+01 -0.279375D+01  0.143550D+01 -0.466786D+01  0.214730D+01
      4   0.373953D+02 -0.168028D+02  0.963157D+01 -0.189817D+02  0.108070D+02
      5  -0.992460D+01  0.195581D+02 -0.169258D+01  0.109286D+02 -0.180777D+01
      6   0.790443D+01 -0.109916D+02  0.325353D+01 -0.919316D+01  0.765299D+01
               286           287           288           289           290 
      1   0.115590D+02  0.102140D+02  0.122501D+01 -0.205746D+02 -0.230406D+02
      2  -0.144294D+02 -0.952979D+01 -0.918618D+01  0.222801D+02  0.241413D+02
      3   0.287039D+01 -0.684160D+00  0.796117D+01 -0.170552D+01 -0.110071D+01
      4  -0.100838D+02  0.214772D+02 -0.183303D+02  0.577331D+01  0.882032D+01
      5   0.217320D+02 -0.124012D+02  0.325197D+02 -0.676552D+00 -0.974724D+00
      6  -0.129643D+02  0.142876D+02 -0.251664D+02 -0.578070D+01 -0.481001D+01
               291           292           293           294           295 
      1   0.565663D+01 -0.122756D+02 -0.500436D+02  0.857662D+01  0.330645D+01
      2  -0.371962D+01  0.198304D+02  0.653708D+02 -0.837061D+01 -0.253053D+01
      3  -0.193701D+01 -0.755478D+01 -0.153272D+02 -0.206014D+00 -0.775925D+00
      4  -0.209217D+01 -0.516708D+00 -0.179242D+02  0.366671D+01 -0.849268D+00
      5   0.135652D+00 -0.269544D+00  0.329670D+01 -0.198012D+01 -0.125470D+01
      6   0.689208D+01 -0.384434D+01 -0.123492D+02  0.129856D+02  0.627854D+01
               296           297           298           299           300 
      1   0.839094D+01 -0.153970D+02 -0.205849D+02 -0.230392D+02 -0.565376D+01
      2  -0.616333D+01  0.126372D+02  0.222858D+02  0.241399D+02  0.371701D+01
      3  -0.222761D+01  0.275984D+01 -0.170087D+01 -0.110071D+01  0.193675D+01
      4   0.832544D+00 -0.224930D+01  0.578671D+01  0.881774D+01  0.208564D+01
      5  -0.627858D+01  0.307584D+01  0.682721D+00  0.966031D+00  0.134585D+00
      6   0.170875D+02 -0.976020D+01  0.578079D+01  0.480827D+01  0.689549D+01
               301           302           303           304           305 
      1  -0.122691D+02 -0.500169D+02 -0.858199D+01 -0.330860D+01 -0.839823D+01
      2   0.198238D+02  0.653281D+02  0.837178D+01  0.253041D+01  0.616898D+01
      3  -0.755476D+01 -0.153112D+02  0.210212D+00  0.778189D+00  0.222924D+01
      4  -0.511115D+00 -0.179017D+02 -0.366858D+01  0.849408D+00 -0.838162D+00
      5   0.270196D+00 -0.329721D+01 -0.196677D+01 -0.125604D+01 -0.627175D+01
      6   0.384127D+01  0.123581D+02  0.129925D+02  0.628398D+01  0.170859D+02
               306           307           308           309           310 
      1  -0.153977D+02  0.325265D+02  0.139033D+02 -0.826194D+01  0.423928D+01
      2   0.126348D+02 -0.242200D+02 -0.184245D+02  0.546338D+01 -0.567702D+01
      3   0.276291D+01 -0.830653D+01  0.452123D+01  0.279855D+01  0.143775D+01
      4  -0.224159D+01 -0.147500D+02  0.373953D+02  0.167995D+02  0.964260D+01
      5  -0.306981D+01 -0.210000D+02  0.992511D+01  0.195522D+02  0.170037D+01
      6   0.976963D+01  0.111179D+02 -0.790787D+01 -0.109939D+02 -0.325979D+01
               311           312           313           314           315 
      1  -0.526169D+01 -0.552941D+01 -0.115591D+02 -0.102089D+02  0.122581D+01
      2   0.993189D+01  0.767507D+01  0.144238D+02  0.952304D+01 -0.917390D+01
      3  -0.467020D+01 -0.214567D+01 -0.286475D+01  0.685836D+00  0.794809D+01
      4  -0.189930D+02 -0.108142D+02  0.100877D+02 -0.214642D+02 -0.183314D+02
      5  -0.109326D+02 -0.181904D+01  0.217286D+02 -0.124034D+02 -0.324949D+02
      6   0.920545D+01  0.765939D+01 -0.129632D+02  0.142940D+02  0.251581D+02
               316           317           318           319           320 
      1   0.408476D+02  0.248529D+02  0.947144D+01  0.266472D+02  0.175149D+02
      2  -0.129971D+02 -0.317675D+00 -0.412606D+01 -0.102528D+00  0.133830D+02
      3  -0.278504D+02 -0.245352D+02 -0.534538D+01 -0.265447D+02 -0.308979D+02
      4   0.502543D+02  0.523092D+02  0.138697D+02  0.575778D+02  0.713993D+02
      5   0.226339D+02  0.161386D+02  0.152921D+02  0.207341D+02  0.253319D+02
      6   0.142420D+02  0.139311D+02  0.758155D+01  0.171081D+02  0.232013D+02
               321           322           323           324           325 
      1   0.277405D+01 -0.324570D+00 -0.288158D+01 -0.602623D+00 -0.237517D+02
      2   0.125641D+01 -0.867102D+00  0.110403D+00  0.168665D+01  0.108494D+02
      3  -0.403046D+01  0.119167D+01  0.277117D+01 -0.108402D+01  0.129023D+02
      4   0.215008D+02  0.130223D+00  0.795478D+01  0.115269D+02  0.179922D+01
      5   0.178807D+02  0.860751D+01  0.115960D+02  0.778040D+01  0.567623D+01
      6   0.141263D+02  0.376918D+01  0.881625D+01  0.618830D+01  0.982249D+01
               326           327           328           329           330 
      1   0.185058D+02  0.304722D+02  0.682978D+01 -0.897277D+01 -0.105726D+02
      2  -0.935481D+01 -0.772007D+01 -0.282779D+01  0.630385D+01  0.701381D+01
      3  -0.915097D+01 -0.227522D+02 -0.400200D+01  0.266892D+01  0.355884D+01
      4  -0.922328D+00 -0.230803D+01  0.473567D+01  0.911110D+01  0.820730D+01
      5  -0.587598D+01 -0.187867D+02 -0.267667D+00  0.899052D+01  0.608594D+01
      6  -0.948042D+01 -0.180762D+02 -0.163450D+01  0.100406D+02  0.108813D+02
               331           332           333           334           335 
      1   0.160361D+02 -0.161170D+02 -0.356808D+02  0.162029D+03  0.336138D+01
      2  -0.375598D+01  0.709309D+01  0.411512D+01 -0.954918D+02 -0.953225D+00
      3  -0.122802D+02  0.902392D+01  0.315657D+02 -0.665376D+02 -0.240815D+01
      4   0.114316D+01  0.815644D+01  0.556921D+01  0.897805D+01  0.161954D+02
      5  -0.437938D+01  0.103054D+02  0.282854D+02  0.650585D+02 -0.235314D+01
      6  -0.760043D+01  0.143138D+02  0.232226D+02  0.175590D+01  0.312370D+01
               336           337           338           339           340 
      1   0.355881D+02  0.405798D+01  0.123519D+02 -0.407397D+01  0.178089D+02
      2  -0.271550D+02 -0.112599D+01 -0.500084D+01  0.163022D+01 -0.161164D+02
      3  -0.843302D+01 -0.293199D+01 -0.735108D+01  0.244375D+01 -0.169257D+01
      4  -0.303945D+01  0.191365D+02  0.303569D+01  0.904168D+00 -0.282487D+01
      5   0.417163D+02 -0.341484D+01  0.254331D+01  0.580319D+01  0.325133D+02
      6   0.273701D+01  0.337687D+01  0.722570D+00  0.400134D+01  0.294627D+01
               341           342           343           344           345 
      1  -0.384974D+01  0.243163D+02  0.548982D+01 -0.554779D+01  0.165120D+02
      2   0.292798D+01 -0.165111D+02 -0.628910D+01  0.114055D+00 -0.977875D+00
      3   0.921762D+00 -0.780525D+01  0.799277D+00  0.543373D+01 -0.155341D+02
      4  -0.334196D+01  0.581176D+01 -0.334145D+01 -0.578646D+01  0.566069D+01
      5   0.433851D+01  0.696074D+01  0.840933D+01  0.362340D+01 -0.120076D+02
      6   0.250561D+01 -0.103480D+01 -0.112421D+01 -0.257156D+01  0.107421D+01
               346           347           348           349           350 
      1  -0.748532D+01 -0.949570D+01  0.776068D+01  0.102500D+02  0.601905D+01
      2   0.555590D+01  0.381885D+00  0.754231D+01 -0.674515D+01  0.597069D+01
      3   0.192942D+01  0.911381D+01 -0.153030D+02 -0.350483D+01 -0.119897D+02
      4   0.814442D+00 -0.154992D+02  0.180431D+02 -0.336473D+01  0.149516D+02
      5  -0.574856D+01  0.156567D+02 -0.288068D+02  0.856245D+01 -0.205416D+02
      6   0.106281D+00 -0.678899D+01  0.854152D+01 -0.109062D+01  0.719244D+01
               351           352           353           354           355 
      1  -0.206992D+02  0.434209D+02 -0.284301D+02 -0.443842D+01 -0.345039D+02
      2  -0.169138D+02 -0.197112D+02  0.128204D+02  0.215107D+01  0.133309D+02
      3   0.376129D+02 -0.237097D+02  0.156097D+02  0.228735D+01  0.211730D+02
      4  -0.226879D+02 -0.369365D+02  0.275523D+02  0.425791D+01  0.377638D+02
      5   0.545309D+02 -0.535983D+01  0.396915D+01  0.113624D+02  0.471991D+01
      6  -0.766334D+01  0.152053D+01 -0.900513D+00 -0.114667D+01 -0.182438D+01
               356           357           358           359           360 
      1   0.205293D+02  0.336583D+01 -0.912577D+01  0.712911D+01  0.102491D+02
      2  -0.194538D+01 -0.102954D+01  0.425541D+01 -0.322332D+01 -0.689240D+01
      3  -0.185839D+02 -0.233629D+01  0.487036D+01 -0.390580D+01 -0.335670D+01
      4  -0.524739D+02 -0.653582D+01  0.972986D+01 -0.829133D+01 -0.849072D+01
      5  -0.580360D+01 -0.593499D+01  0.170460D+02 -0.776768D+01 -0.563416D+01
      6   0.108501D+01  0.334335D+01 -0.209866D+01  0.449577D+01  0.117209D+01
               361           362           363           364           365 
      1  -0.481294D+02 -0.186741D+02 -0.141002D+02 -0.195074D+02 -0.116430D+02
      2   0.220046D+02  0.104407D+02 -0.430908D+01  0.102236D+02  0.413712D+01
      3   0.261248D+02  0.823336D+01  0.184093D+02  0.928382D+01  0.750592D+01
      4  -0.204010D+02 -0.930292D+01  0.217521D+00 -0.625586D+01 -0.597755D+01
      5   0.210783D+02  0.104535D+02 -0.104577D+02  0.105682D+02 -0.155236D+01
      6   0.725187D+01  0.561605D+01  0.416767D+00  0.336091D+01  0.350362D+01
               366           367           368           369           370 
      1  -0.187512D+01 -0.448140D+01 -0.446965D+00 -0.967750D+01 -0.134266D+01
      2  -0.368508D+01 -0.267815D+01 -0.180286D+01  0.294132D+01 -0.201674D+01
      3   0.556019D+01  0.715955D+01  0.224982D+01  0.673618D+01  0.335940D+01
      4  -0.613804D+01  0.146389D+01 -0.388691D+01 -0.296887D+01  0.270970D+01
      5  -0.518437D+01 -0.337071D+01 -0.242514D+01  0.313881D+01 -0.853659D+01
      6   0.550917D+01  0.463666D+00  0.329607D+01  0.756117D+00 -0.322716D+01
               371           372           373           374           375 
      1   0.364342D+01 -0.858998D+01  0.449557D+01 -0.126927D+02  0.182274D+02
      2  -0.124315D+01  0.550782D+01 -0.472678D+01  0.337179D+01  0.702576D+01
      3  -0.240027D+01  0.308217D+01  0.231216D+00  0.932095D+01 -0.252532D+02
      4   0.409394D+01 -0.129563D+01  0.104821D+02  0.292323D+02 -0.246409D+02
      5  -0.120107D+01  0.104203D+02 -0.109888D+02 -0.261717D+02  0.396476D+02
      6  -0.140629D+01  0.197879D+00 -0.690529D+01 -0.258755D+02  0.275892D+02
               376           377           378           379           380 
      1  -0.596279D+01  0.117705D+02 -0.177323D+02  0.320325D+02 -0.163788D+02
      2   0.767391D+01  0.320852D+01 -0.133652D+02 -0.266563D+02  0.137680D+02
      3  -0.171112D+01 -0.149790D+02  0.310975D+02 -0.537624D+01  0.261080D+01
      4  -0.508385D+01 -0.176443D+02  0.210753D+02 -0.208618D+02  0.181888D+02
      5   0.157259D+02  0.215886D+02 -0.434088D+02 -0.374901D+02  0.207795D+02
      6   0.389438D+01  0.198046D+02 -0.247285D+02  0.956893D+01 -0.888864D+01
               381           382           383           384           385 
      1  -0.160817D+02 -0.240620D+02  0.102771D+02  0.103230D+02 -0.100195D+02
      2   0.221635D+02  0.203983D+02 -0.127646D+02 -0.188440D+02  0.156466D+02
      3  -0.608183D+01  0.366363D+01  0.248742D+01  0.852098D+01 -0.562706D+01
      4   0.148335D+02  0.222990D+02 -0.271415D+02 -0.241850D+02  0.988028D+01
      5   0.395028D+02  0.313992D+02 -0.284818D+02 -0.335144D+02  0.285121D+02
      6  -0.671907D+01 -0.114626D+02  0.139924D+02  0.152635D+02 -0.550051D+01
               386           387           388           389           390 
      1   0.461986D+01  0.843510D+01  0.439935D+02  0.574920D+01  0.198113D+02
      2  -0.884134D+01 -0.206041D+02 -0.196058D+02  0.736082D+00 -0.521793D+01
      3   0.422148D+01  0.121690D+02 -0.243877D+02 -0.648528D+01 -0.145934D+02
      4  -0.137255D+02 -0.129304D+02  0.134019D+02  0.126000D+02  0.167988D+02
      5  -0.155049D+02 -0.359723D+02  0.175446D+02  0.134110D+02  0.207137D+02
      6   0.985687D+01  0.759423D+01  0.453164D+01  0.285631D+01  0.545248D+01
               391           392           393           394           395 
      1   0.791158D+01  0.116042D+02  0.161476D+02  0.511726D+02  0.221955D+02
      2   0.123043D+01 -0.892930D+00 -0.359086D+01 -0.187574D+02 -0.494621D+01
      3  -0.914200D+01 -0.107112D+02 -0.125568D+02 -0.324152D+02 -0.172493D+02
      4   0.191556D+02  0.174232D+02  0.129568D+02  0.296096D+02  0.206864D+02
      5   0.146418D+02  0.900227D+01  0.823502D+01  0.209436D+02  0.946997D+01
      6   0.172538D+01  0.158876D+01  0.533093D+01  0.555083D+01  0.431540D+01
               396           397           398           399           400 
      1   0.222996D+02  0.105627D+03 -0.303002D+02 -0.286679D+02 -0.881568D+02
      2  -0.709320D+01 -0.637961D+02  0.193605D+02  0.205104D+02  0.537922D+02
      3  -0.152064D+02 -0.418310D+02  0.109396D+02  0.815754D+01  0.343646D+02
      4   0.137979D+02 -0.217384D+02  0.173518D+02  0.692918D+01  0.273887D+02
      5   0.499118D+02 -0.398686D+02  0.116424D+02  0.257124D+02  0.345390D+02
      6   0.101607D+02  0.284380D+01 -0.228811D+01  0.776372D+00 -0.437831D+01
               401           402           403           404           405 
      1   0.287239D+02  0.249676D+02 -0.402249D+02  0.108019D+02  0.260497D+02
      2  -0.187725D+02 -0.189848D+02  0.285389D+02 -0.927747D+01 -0.192931D+02
      3  -0.995145D+01 -0.598281D+01  0.116860D+02 -0.152439D+01 -0.675657D+01
      4  -0.243033D+02 -0.135405D+02  0.698832D+01 -0.122834D+02 -0.285205D+01
      5  -0.168589D+02 -0.202939D+02  0.372046D+02 -0.586251D+01 -0.232890D+02
      6   0.353036D+01  0.342197D+01  0.144067D+01  0.434028D+01 -0.200484D+00
               406           407           408           409           410 
      1   0.939616D+01  0.665722D+01 -0.986161D+01  0.215477D+02  0.748700D+01
      2  -0.396380D+01 -0.167279D+01  0.523113D+01 -0.562055D+01  0.976864D+01
      3  -0.543236D+01 -0.498443D+01  0.463048D+01 -0.159272D+02 -0.172556D+02
      4   0.888047D+01  0.104273D+02 -0.473597D+01  0.398850D+02  0.614578D+02
      5  -0.112073D+02 -0.429471D+01  0.880018D+01 -0.217050D+02 -0.364673D+02
      6  -0.445285D+01 -0.234043D+01  0.178492D+01 -0.127498D+02 -0.244154D+02
               411           412           413           414           415 
      1  -0.391407D+00 -0.250346D+02 -0.104957D+01  0.718942D+01 -0.270352D+02
      2  -0.264201D+01  0.136654D+02 -0.299304D+01 -0.608519D+01  0.281901D+02
      3   0.303342D+01  0.113692D+02  0.404261D+01 -0.110423D+01 -0.115495D+01
      4  -0.359156D+02 -0.229771D+02 -0.374060D+02  0.328644D+02 -0.409456D+01
      5   0.343570D+02  0.306802D+02  0.325788D+02 -0.388438D+02  0.743520D+01
      6   0.195760D+02  0.115039D+02  0.194594D+02 -0.192174D+02  0.665030D+01
               416           417           418           419           420 
      1   0.326090D+02  0.991403D+01  0.184413D+02 -0.297422D+02 -0.108593D+02
      2  -0.357471D+02 -0.118334D+02 -0.186995D+02  0.400542D+02  0.131105D+02
      3   0.313807D+01  0.191936D+01  0.258214D+00 -0.103121D+02 -0.225117D+01
      4  -0.589201D+00  0.141142D+01  0.442391D+01  0.965345D+01  0.277133D+01
      5  -0.680270D+01 -0.849457D+01 -0.503364D+01  0.881429D+01  0.415685D+01
      6  -0.546145D+01 -0.114781D+02 -0.461010D+01  0.778344D+01  0.729071D+01
               421           422           423           424           425 
      1   0.154448D+02 -0.225391D+02 -0.173509D+02  0.308449D+02  0.902900D+01
      2  -0.147554D+02  0.290874D+02  0.140751D+02  0.433436D+01  0.237971D+02
      3  -0.689438D+00 -0.654830D+01  0.327583D+01 -0.351792D+02 -0.328261D+02
      4   0.393130D+01  0.101108D+02 -0.445950D+00  0.590541D+02  0.622170D+02
      5  -0.753799D+01  0.770406D+01  0.793026D+01 -0.106013D+02 -0.102446D+02
      6  -0.932326D+01  0.104622D+02  0.102786D+02 -0.576888D+01 -0.957589D+01
               426           427           428           429           430 
      1  -0.254663D+00  0.960328D+01  0.133423D+00 -0.117706D+01  0.946103D+00
      2  -0.293054D+01  0.136256D+02  0.331619D+02 -0.739077D+00 -0.143818D+01
      3   0.318520D+01 -0.232289D+02 -0.332953D+02  0.191614D+01  0.492076D+00
      4  -0.808875D+01  0.443710D+02  0.605778D+02 -0.647550D+01 -0.252618D+01
      5   0.868394D+01 -0.771555D+01 -0.734005D+01  0.728124D+01  0.670234D+01
      6   0.729435D+01 -0.645336D+01 -0.831732D+01  0.753950D+01  0.504827D+01
               431           432           433           434           435 
      1  -0.179729D+01 -0.946721D+00 -0.120637D+02  0.121759D+02 -0.145795D+02
      2   0.276379D+01  0.260176D+01  0.706312D+01 -0.891595D+01  0.269568D+01
      3  -0.966498D+00 -0.165504D+01  0.500057D+01 -0.325994D+01  0.118839D+02
      4  -0.113781D+01  0.872951D+01 -0.195301D+00  0.145246D+01 -0.409190D+01
      5   0.839061D+01 -0.444308D+01 -0.320069D+01  0.124754D+01 -0.848503D+01
      6   0.885178D+01 -0.461920D+01 -0.734299D+01  0.476497D+01 -0.147277D+02
               436           437           438           439           440 
      1   0.207803D+01 -0.495140D+01  0.288100D+01 -0.124549D+02  0.169150D+02
      2  -0.151655D+01  0.269573D+01 -0.508796D+01  0.302962D+01 -0.149375D+02
      3  -0.561477D+00  0.225567D+01  0.220696D+01  0.942527D+01 -0.197756D+01
      4   0.142561D+01 -0.953850D+00 -0.436005D+01 -0.605274D+01 -0.106522D+02
      5  -0.133708D+01 -0.433744D+01  0.805344D+00 -0.289585D+01  0.105770D+02
      6   0.294686D+00 -0.478241D+01  0.599451D+01 -0.928917D+01  0.182284D+02
               441           442           443           444           445 
      1  -0.345668D+02 -0.138818D+01  0.366327D+01  0.859995D+01  0.449145D+01
      2   0.384735D+01 -0.197908D+01 -0.124593D+01 -0.545642D+01 -0.470318D+01
      3   0.307195D+02  0.336725D+01 -0.241734D+01 -0.314353D+01  0.211729D+00
      4   0.226857D+00  0.268856D+01  0.403621D+01  0.125711D+01  0.104073D+02
      5  -0.341928D+02  0.847604D+01  0.116375D+01  0.103090D+02  0.109064D+02
      6  -0.400482D+02  0.321705D+01  0.136757D+01  0.137262D+00  0.685583D+01
               446           447           448           449           450 
      1  -0.127896D+02 -0.183098D+02  0.595066D+01 -0.118368D+02 -0.177874D+02
      2   0.345394D+01 -0.700446D+01 -0.762436D+01 -0.316932D+01 -0.132484D+02
      3   0.933571D+01  0.253142D+02  0.167370D+01  0.150062D+02  0.310358D+02
      4   0.292431D+02  0.245887D+02  0.502246D+01  0.176139D+02  0.210390D+02
      5   0.261031D+02  0.395936D+02  0.156217D+02  0.215346D+02  0.432200D+02
      6   0.258894D+02  0.276084D+02  0.383780D+01  0.198182D+02  0.246883D+02
               451           452           453           454           455 
      1  -0.482110D+02 -0.187958D+02  0.139550D+02 -0.195849D+02 -0.117288D+02
      2   0.221118D+02  0.105617D+02  0.438129D+01  0.102897D+02  0.420105D+01
      3   0.260991D+02  0.823406D+01 -0.183363D+02  0.929520D+01  0.752779D+01
      4  -0.205412D+02 -0.946577D+01 -0.332915D+00 -0.634672D+01 -0.603516D+01
      5  -0.211963D+02 -0.105702D+02 -0.104969D+02 -0.106342D+02  0.150049D+01
      6  -0.726771D+01 -0.562444D+01  0.407093D+00 -0.337787D+01 -0.350526D+01
               456           457           458           459           460 
      1   0.183488D+01  0.419395D+01  0.230212D+00 -0.975079D+01  0.319565D+02
      2   0.372092D+01  0.289457D+01  0.198845D+01  0.306413D+01 -0.266402D+02
      3  -0.555579D+01 -0.708852D+01 -0.221866D+01  0.668666D+01 -0.531632D+01
      4   0.609788D+01 -0.169790D+01  0.368157D+01 -0.308984D+01 -0.207981D+02
      5  -0.522255D+01 -0.356534D+01 -0.259437D+01 -0.328098D+01  0.374980D+02
      6   0.550082D+01  0.447841D+00  0.328442D+01 -0.766457D+00 -0.955323D+01
               461           462           463           464           465 
      1  -0.163078D+02  0.160567D+02 -0.239642D+02  0.101908D+02 -0.102877D+02
      2   0.137451D+02 -0.221992D+02  0.203625D+02 -0.127370D+02  0.188660D+02
      3   0.256267D+01  0.614245D+01  0.360174D+01  0.254622D+01 -0.857828D+01
      4   0.181336D+02 -0.148375D+02  0.222199D+02 -0.270482D+02  0.241772D+02
      5  -0.207695D+02  0.395761D+02 -0.313749D+02  0.284542D+02 -0.335583D+02
      6   0.886826D+01 -0.672481D+01  0.114322D+02 -0.139557D+02  0.152695D+02
               466           467           468           469           470 
      1   0.100337D+02 -0.461327D+01  0.842377D+01  0.935209D+01  0.668145D+01
      2  -0.156958D+02  0.886311D+01 -0.206950D+02 -0.393823D+01 -0.169158D+01
      3   0.566212D+01 -0.424983D+01  0.122712D+02 -0.541387D+01 -0.498987D+01
      4  -0.989033D+01  0.137404D+02 -0.129666D+02  0.888693D+01  0.104106D+02
      5   0.285880D+02 -0.155450D+02  0.361348D+02  0.111913D+02  0.428351D+01
      6  -0.551003D+01  0.986697D+01 -0.761901D+01  0.445269D+01  0.233392D+01
               471           472           473           474           475 
      1   0.985311D+01  0.215716D+02  0.745423D+01  0.386433D+00  0.250011D+02
      2  -0.523006D+01 -0.565224D+01  0.976918D+01  0.263216D+01 -0.136707D+02
      3  -0.462305D+01 -0.159194D+02 -0.172234D+02 -0.301859D+01 -0.113304D+02
      4   0.472066D+01  0.398655D+02  0.614728D+02  0.359547D+02  0.229228D+02
      5   0.879987D+01  0.217240D+02  0.365046D+02  0.343913D+02  0.306846D+02
      6   0.177757D+01  0.127533D+02  0.244407D+02  0.195922D+02  0.115018D+02
               476           477           478           479           480 
      1   0.995926D+00  0.718708D+01  0.105273D+03 -0.302781D+02  0.286782D+02
      2   0.299848D+01 -0.611419D+01 -0.636185D+02  0.193525D+02 -0.205344D+02
      3  -0.399441D+01 -0.107288D+01 -0.416542D+02  0.109256D+02 -0.814383D+01
      4   0.373772D+02  0.328292D+02 -0.217748D+02  0.173468D+02 -0.697399D+01
      5   0.325402D+02  0.388203D+02  0.398855D+02 -0.116883D+02  0.257560D+02
      6   0.194592D+02  0.192193D+02 -0.286134D+01  0.229004D+01  0.762863D+00
               481           482           483           484           485 
      1  -0.880519D+02  0.287105D+02 -0.250402D+02  0.403249D+02 -0.108572D+02
      2   0.537562D+02 -0.187778D+02  0.190519D+02 -0.286275D+02  0.931971D+01
      3   0.342957D+02 -0.993273D+01  0.598831D+01 -0.116973D+02  0.153751D+01
      4   0.274166D+02 -0.243394D+02  0.136038D+02 -0.704432D+01  0.123185D+02
      5  -0.346451D+02  0.169253D+02 -0.203874D+02  0.373179D+02 -0.592713D+01
      6   0.439303D+01 -0.354975D+01  0.343926D+01  0.143813D+01  0.434960D+01
               486           487           488           489           490 
      1   0.261312D+02  0.429718D+02  0.576775D+01 -0.210140D+02  0.818437D+01
      2  -0.193793D+02 -0.190804D+02  0.727172D+00  0.576798D+01  0.107932D+01
      3  -0.675193D+01 -0.238914D+02 -0.649493D+01  0.152460D+02 -0.926369D+01
      4  -0.290282D+01  0.131923D+02  0.125892D+02 -0.171743D+02  0.191516D+02
      5   0.234168D+02 -0.184661D+02 -0.135531D+02  0.198430D+02 -0.145623D+02
      6   0.200403D+00 -0.483133D+01 -0.287019D+01  0.517837D+01 -0.165995D+01
               491           492           493           494           495 
      1   0.115499D+02 -0.160500D+02 -0.524198D+02 -0.222960D+02  0.212118D+02
      2  -0.896429D+00  0.352265D+01  0.193533D+02  0.498945D+01 -0.662211D+01
      3  -0.106535D+02  0.125274D+02  0.330665D+02  0.173066D+02 -0.145897D+02
      4   0.173167D+02 -0.130029D+02 -0.299116D+02 -0.207435D+02  0.132646D+02
      5  -0.908035D+01  0.803012D+01  0.200321D+02  0.914843D+01 -0.509242D+02
      6  -0.158777D+01  0.532739D+01  0.525332D+01  0.425456D+01 -0.104126D+02
               496           497           498           499           500 
      1   0.162472D+03  0.348515D+01 -0.350570D+02  0.421369D+01  0.125870D+02
      2  -0.956258D+02 -0.959118D+00  0.269620D+02 -0.114840D+01 -0.506837D+01
      3  -0.668458D+02 -0.252604D+01  0.809498D+01 -0.306529D+01 -0.751862D+01
      4   0.907000D+01  0.164074D+02  0.353757D+01  0.193664D+02  0.323516D+01
      5  -0.645400D+02  0.279298D+01  0.424612D+02  0.386571D+01 -0.211268D+01
      6  -0.166445D+01 -0.306117D+01  0.283658D+01 -0.330750D+01 -0.655036D+00
               501           502           503           504           505 
      1   0.457176D+01 -0.172739D+02  0.423958D+01  0.250463D+02  0.551065D+01
      2  -0.176780D+01  0.159004D+02 -0.304140D+01 -0.166537D+02 -0.629374D+01
      3  -0.280395D+01  0.137344D+01 -0.119818D+01 -0.839267D+01  0.783089D+00
      4  -0.405039D+00  0.323394D+01  0.373093D+01  0.658557D+01 -0.337511D+01
      5   0.667332D+01  0.330861D+02  0.500025D+01 -0.538984D+01 -0.842639D+01
      6   0.412216D+01  0.302207D+01  0.259196D+01  0.125513D+01  0.112697D+01
               506           507           508           509           510 
      1  -0.557658D+01 -0.165046D+02 -0.750472D+01 -0.948245D+01 -0.772780D+01
      2   0.135010D+00  0.991486D+00  0.557624D+01  0.377212D+00 -0.754938D+01
      3   0.544157D+01  0.155131D+02  0.192848D+01  0.910524D+01  0.152772D+02
      4  -0.579503D+01 -0.566935D+01  0.835760D+00 -0.155232D+02 -0.180681D+02
      5  -0.363220D+01 -0.120444D+02  0.577817D+01 -0.156878D+02 -0.288378D+02
      6   0.256450D+01  0.106506D+01 -0.115059D+00  0.679397D+01  0.855074D+01
               511           512           513           514           515 
      1  -0.102218D+02 -0.598707D+01 -0.206496D+02 -0.236267D+02  0.184899D+02
      2   0.675000D+01 -0.599165D+01 -0.169325D+02  0.107880D+02 -0.934001D+01
      3   0.347177D+01  0.119787D+02  0.375821D+02  0.128387D+02 -0.914985D+01
      4   0.340551D+01 -0.149761D+02 -0.227151D+02  0.183084D+01 -0.931061D+00
      5   0.860847D+01 -0.205794D+02 -0.545994D+02 -0.564053D+01  0.588733D+01
      6  -0.109949D+01  0.720404D+01  0.768394D+01 -0.978474D+01  0.947311D+01
               516           517           518           519           520 
      1  -0.304090D+02  0.688424D+01 -0.896987D+01  0.106328D+02 -0.160275D+02
      2   0.767893D+01 -0.285224D+01  0.629301D+01 -0.703573D+01  0.375435D+01
      3   0.227300D+02 -0.403200D+01  0.267686D+01 -0.359703D+01  0.122731D+02
      4   0.233807D+01  0.475061D+01  0.911641D+01 -0.821815D+01 -0.113097D+01
      5  -0.187888D+02  0.301583D+00 -0.901187D+01  0.614934D+01 -0.438180D+01
      6  -0.180590D+02  0.164017D+01 -0.100451D+02  0.109126D+02 -0.758830D+01
               521           522           523           524           525 
      1   0.161389D+02 -0.357486D+02  0.414510D+02  0.248920D+02 -0.906471D+01
      2  -0.708912D+01  0.410310D+01 -0.133012D+02 -0.339161D+00  0.391910D+01
      3  -0.904975D+01  0.316455D+02 -0.281498D+02 -0.245528D+02  0.514560D+01
      4  -0.817889D+01  0.561323D+01  0.503994D+02  0.523377D+02 -0.137919D+02
      5   0.103513D+02 -0.284307D+02 -0.223318D+02 -0.161516D+02  0.155928D+02
      6   0.143354D+02 -0.232869D+02 -0.141201D+02 -0.139266D+02  0.768164D+01
               526           527           528           529           530 
      1   0.266201D+02  0.176018D+02 -0.288985D+01  0.750892D+00  0.286573D+01
      2  -0.920302D-01  0.133073D+02 -0.118360D+01  0.653821D+00 -0.890907D-01
      3  -0.265281D+02 -0.309091D+02  0.407345D+01 -0.140471D+01 -0.277664D+01
      4   0.575898D+02  0.713560D+02 -0.214910D+02 -0.383780D-01 -0.790750D+01
      5  -0.208130D+02 -0.253052D+02  0.178198D+02  0.886897D+01  0.115805D+02
      6  -0.171228D+02 -0.231505D+02  0.140809D+02  0.385870D+01  0.879233D+01
               531           532           533           534           535 
      1  -0.243019D+00  0.433208D+02 -0.282428D+02  0.444977D+01 -0.343691D+02
      2   0.150064D+01 -0.196765D+02  0.126244D+02 -0.215667D+01  0.132090D+02
      3  -0.125762D+01 -0.236442D+02  0.156184D+02 -0.229310D+01  0.211601D+02
      4   0.115871D+02 -0.368446D+02  0.277904D+02 -0.427548D+01  0.378633D+02
      5  -0.752832D+01  0.538192D+01 -0.398003D+01  0.113573D+02 -0.475067D+01
      6  -0.608815D+01 -0.152777D+01  0.931104D+00 -0.114812D+01  0.185249D+01
               536           537           538           539           540 
      1   0.208132D+02 -0.337422D+01  0.911435D+01 -0.718755D+01  0.102436D+02
      2  -0.227979D+01  0.102823D+01 -0.424231D+01  0.328337D+01 -0.688929D+01
      3  -0.185334D+02  0.234600D+01 -0.487204D+01  0.390418D+01 -0.335430D+01
      4  -0.520272D+02  0.658514D+01 -0.977881D+01  0.826397D+01 -0.851150D+01
      5   0.587224D+01 -0.595705D+01  0.170499D+02 -0.779225D+01  0.568057D+01
      6  -0.106587D+01  0.335482D+01 -0.210644D+01  0.449403D+01 -0.118102D+01
               541           542           543           544           545 
      1   0.309586D+02  0.902775D+01  0.282489D+00  0.958139D+01  0.219868D+00
      2   0.426116D+01  0.238028D+02  0.292004D+01  0.136392D+02  0.330528D+02
      3  -0.352198D+02 -0.328306D+02 -0.320253D+01 -0.232206D+02 -0.332727D+02
      4   0.591006D+02  0.622544D+02  0.811113D+01  0.443895D+02  0.605219D+02
      5   0.106314D+02  0.102403D+02  0.869429D+01  0.770962D+01  0.734501D+01
      6   0.577953D+01  0.958045D+01  0.729192D+01  0.646206D+01  0.830320D+01
               546           547           548           549           550 
      1   0.118091D+01 -0.909898D+00  0.179036D+01 -0.943911D+00 -0.269650D+02
      2   0.740923D+00  0.142921D+01 -0.273293D+01  0.260710D+01  0.281222D+02
      3  -0.192183D+01 -0.519308D+00  0.942570D+00 -0.166319D+01 -0.115716D+01
      4   0.648976D+01  0.256695D+01  0.118616D+01  0.873706D+01 -0.404099D+01
      5   0.728170D+01  0.671678D+01  0.839925D+01  0.445294D+01 -0.741501D+01
      6   0.753826D+01  0.504902D+01  0.886330D+01  0.462516D+01 -0.666069D+01
               551           552           553           554           555 
      1   0.325960D+02 -0.994290D+01  0.184194D+02 -0.297696D+02  0.109017D+02
      2  -0.357328D+02  0.118606D+02 -0.186769D+02  0.400942D+02 -0.131632D+02
      3   0.313681D+01 -0.191774D+01  0.257498D+00 -0.103247D+02  0.226150D+01
      4  -0.611358D+00 -0.139190D+01  0.440679D+01  0.969678D+01 -0.279669D+01
      5   0.681483D+01 -0.850830D+01  0.503089D+01 -0.884487D+01  0.418646D+01
      6   0.549735D+01 -0.114928D+02  0.462282D+01 -0.783603D+01  0.732683D+01
               556           557           558           559           560 
      1  -0.154457D+02  0.226020D+02 -0.174056D+02 -0.120997D+02  0.122237D+02
      2   0.147555D+02 -0.291645D+02  0.141329D+02  0.708676D+01 -0.896848D+01
      3   0.690195D+00  0.656250D+01  0.327263D+01  0.501298D+01 -0.325527D+01
      4  -0.392130D+01 -0.101617D+02 -0.417109D+00 -0.209486D+00  0.142280D+01
      5  -0.754407D+01  0.774498D+01 -0.798082D+01  0.320908D+01 -0.125975D+01
      6  -0.933565D+01  0.105198D+02 -0.103414D+02  0.736753D+01 -0.478830D+01
               561           562           563           564           565 
      1   0.146115D+02  0.209987D+01 -0.499281D+01 -0.290309D+01  0.124738D+02
      2  -0.272393D+01 -0.153614D+01  0.273221D+01  0.510671D+01 -0.304176D+01
      3  -0.118876D+02 -0.563731D+00  0.226060D+01 -0.220361D+01 -0.943207D+01
      4   0.409683D+01  0.141711D+01 -0.939678D+00  0.436348D+01  0.606512D+01
      5  -0.851421D+01  0.133359D+01  0.434411D+01  0.814530D+00 -0.292396D+01
      6  -0.147632D+02 -0.310840D+00  0.480765D+01  0.601076D+01 -0.931472D+01
               566           567 
      1  -0.169164D+02 -0.345547D+02
      2   0.149630D+02  0.389507D+01
      3   0.195345D+01  0.306596D+02
      4   0.106533D+02  0.199460D+00
      5   0.105657D+02  0.341418D+02
      6   0.182185D+02  0.399923D+02
 Leave Link  716 at Sun Aug 29 15:18:44 2021, MaxMem=  7516192768 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.439428D+03  0.342641D+02  0.329874D-02
      2   0.342641D+02  0.339990D+03 -0.216315D-02
      3   0.329874D-02 -0.216315D-02  0.253175D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.387605D+01  0.215360D+02  0.378943D-01
      2   0.745583D+02  0.514513D+02  0.434716D-01
      3   0.642605D+00 -0.990093D-02 -0.465935D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.246932D+00  0.225751D-01 -0.360115D+01
      2  -0.167454D+00  0.216617D-01 -0.109345D+03
      3  -0.794785D-01 -0.442368D-01  0.112946D+03
      4  -0.232239D-01 -0.547829D-01  0.866431D+02
      5   0.138916D+03  0.887383D+02  0.664689D-01
      6   0.292685D+02  0.482937D+02 -0.108399D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.860434D+01 -0.934240D+00  0.177159D+01  0.178002D+00  0.215736D+01
      2  -0.934240D+00  0.616916D+00  0.471834D+00  0.215736D+01 -0.986071D+00
      3   0.177159D+01  0.471834D+00  0.185417D+01 -0.233205D+00  0.278077D+00
                 6             7             8             9            10 
      1  -0.233205D+00 -0.243306D+01 -0.891461D+00  0.231483D+01 -0.379197D+01
      2   0.278077D+00 -0.891461D+00 -0.112828D+01  0.331423D+01  0.359645D-01
      3   0.338009D+01  0.231483D+01  0.331423D+01  0.104054D+00 -0.220553D+00
                11            12            13            14            15 
      1   0.359645D-01 -0.220553D+00  0.134459D+01 -0.433796D+01  0.124509D+01
      2  -0.340884D+01  0.957856D+00 -0.433796D+01 -0.578419D+00 -0.203519D+01
      3   0.957856D+00 -0.200188D+01  0.124509D+01 -0.203519D+01 -0.443504D+01
                16            17            18            19            20 
      1   0.128112D+01  0.128833D+01 -0.436855D+01  0.262016D+02  0.686847D+01
      2   0.128833D+01  0.712729D-01 -0.298648D+01  0.686847D+01  0.108689D+02
      3  -0.436855D+01 -0.298648D+01  0.429234D+00  0.235833D+00  0.103477D+01
                21            22            23            24            25 
      1   0.235833D+00  0.963832D+01  0.642306D+01 -0.175891D+00 -0.234035D+01
      2   0.103477D+01  0.642306D+01  0.130790D+02  0.188463D+01  0.173297D+00
      3   0.137084D+01 -0.175891D+00  0.188463D+01  0.146448D+01  0.384859D+01
                26            27            28            29            30 
      1   0.173297D+00  0.384859D+01 -0.346794D+02  0.629652D+00 -0.557521D+00
      2   0.164017D+01  0.188007D+01  0.629652D+00  0.779612D+01  0.378500D+00
      3   0.188007D+01  0.817362D+00 -0.557521D+00  0.378500D+00 -0.219992D+00
                31            32            33            34            35 
      1   0.961679D+01  0.239991D+01 -0.720974D+00  0.344746D+01 -0.126296D+01
      2   0.239991D+01  0.463165D+01  0.158516D+00 -0.126296D+01  0.918608D+00
      3  -0.720974D+00  0.158516D+00  0.194119D+00  0.199207D+01  0.265769D+01
                36            37            38            39            40 
      1   0.199207D+01  0.100876D+02  0.307959D+01 -0.470937D+00  0.152737D+02
      2   0.265769D+01  0.307959D+01  0.411854D+00  0.211201D+01  0.378285D+01
      3   0.896404D+00 -0.470937D+00  0.211201D+01 -0.335037D+01  0.262018D+01
                41            42            43            44            45 
      1   0.378285D+01  0.262018D+01  0.158263D+01  0.598728D+01 -0.509914D+01
      2  -0.104988D+01 -0.183044D+01  0.598728D+01 -0.272817D+00 -0.144772D+01
      3  -0.183044D+01  0.175004D+01 -0.509914D+01 -0.144772D+01  0.261165D+01
                46            47            48            49            50 
      1  -0.179127D+01 -0.407786D+01  0.151606D+01 -0.679978D+01 -0.591842D+01
      2  -0.407786D+01 -0.377351D+01 -0.326141D+00 -0.591842D+01  0.141595D+00
      3   0.151606D+01 -0.326141D+00  0.311157D+01  0.645059D+00  0.224947D+01
                51            52            53            54            55 
      1   0.645059D+00 -0.396987D+01 -0.341508D+01  0.457142D+01 -0.232295D+01
      2   0.224947D+01 -0.341508D+01 -0.371649D+00 -0.153506D+00 -0.538217D+01
      3  -0.815411D+00  0.457142D+01 -0.153506D+00 -0.210110D+01  0.153596D+01
                56            57            58            59            60 
      1  -0.538217D+01  0.153596D+01 -0.102812D+02  0.383714D+00 -0.200315D+01
      2  -0.300393D+00 -0.171952D+01  0.383714D+00  0.155271D+01  0.312238D+01
      3  -0.171952D+01  0.413050D+01 -0.200315D+01  0.312238D+01  0.285373D+01
                61            62            63            64            65 
      1   0.480910D+01 -0.105806D+01  0.485836D+01  0.619692D+02  0.504290D+01
      2  -0.105806D+01  0.331397D+01  0.260096D+01  0.504290D+01 -0.804362D+01
      3   0.485836D+01  0.260096D+01 -0.160049D+01  0.116360D+01 -0.123681D+01
                66            67            68            69            70 
      1   0.116360D+01  0.170380D+02  0.314211D+01  0.108197D+01  0.127950D+01
      2  -0.123681D+01  0.314211D+01  0.570297D+01  0.545975D+00 -0.838513D+00
      3  -0.300576D+00  0.108197D+01  0.545975D+00  0.821250D+00 -0.615636D+00
                71            72            73            74            75 
      1  -0.838513D+00 -0.615636D+00  0.364640D-01  0.716800D-02 -0.155375D+00
      2  -0.312018D+00  0.112438D+01  0.716800D-02 -0.426554D-03 -0.491433D+00
      3   0.112438D+01  0.287314D+00 -0.155375D+00 -0.491433D+00  0.155752D-04
                76            77            78            79            80 
      1  -0.121295D+00  0.889001D-02 -0.364027D+01  0.259658D+02  0.228846D+01
      2   0.889001D-02  0.328143D-02  0.214685D+00  0.228846D+01  0.801894D-01
      3  -0.364027D+01  0.214685D+00  0.130696D-02 -0.112762D-02  0.165118D-02
                81            82            83            84            85 
      1  -0.112762D-02  0.478275D+02 -0.859410D+01 -0.211625D+01 -0.310422D+02
      2   0.165118D-02 -0.859410D+01 -0.479360D+01 -0.984766D+00  0.317894D+01
      3  -0.255678D+00 -0.211625D+01 -0.984766D+00 -0.333857D+00  0.146725D+01
                86            87            88            89            90 
      1   0.317894D+01  0.146725D+01 -0.150682D+02  0.233308D+00 -0.136043D+01
      2  -0.202193D+01 -0.494814D-01  0.233308D+00  0.471302D+00 -0.105337D+01
      3  -0.494814D-01 -0.135073D+00 -0.136043D+01 -0.105337D+01 -0.226605D+00
                91            92            93            94            95 
      1  -0.363115D+02  0.255780D+01  0.104539D+01 -0.153036D+02 -0.173274D+02
      2   0.255780D+01 -0.278548D+01 -0.954376D-01 -0.173274D+02 -0.246774D+02
      3   0.104539D+01 -0.954376D-01 -0.979538D+00 -0.218369D+01 -0.302727D+01
                96            97            98            99           100 
      1  -0.218369D+01 -0.619837D+01 -0.273051D+01 -0.180871D+01  0.251647D+01
      2  -0.302727D+01 -0.273051D+01 -0.318729D+01 -0.474767D+01 -0.490242D+01
      3  -0.248070D+01 -0.180871D+01 -0.474767D+01 -0.181138D+01 -0.291772D+00
               101           102           103           104           105 
      1  -0.490242D+01 -0.291772D+00 -0.351198D+01  0.111981D+02  0.191046D+01
      2  -0.391894D+01 -0.285613D+00  0.111981D+02  0.455922D+01  0.668066D+00
      3  -0.285613D+00 -0.134576D+01  0.191046D+01  0.668066D+00 -0.544984D+00
               106           107           108           109           110 
      1   0.540114D+01  0.169061D+01 -0.104396D+01  0.347723D+01  0.857113D+00
      2   0.169061D+01 -0.104695D+01  0.111450D+01  0.857113D+00  0.413011D+01
      3  -0.104396D+01  0.111450D+01 -0.389229D+00  0.173221D+01 -0.309626D-01
               111           112           113           114           115 
      1   0.173221D+01 -0.226139D+01 -0.518589D+00 -0.670178D+00  0.180962D+01
      2  -0.309626D-01 -0.518589D+00 -0.475959D+01  0.117222D+01  0.477959D+00
      3   0.989032D+00 -0.670178D+00  0.117222D+01 -0.580837D+00  0.179429D+01
               116           117           118           119           120 
      1   0.477959D+00  0.179429D+01 -0.278265D+01 -0.488556D+01  0.400379D+00
      2   0.435093D+01 -0.153649D+01 -0.488556D+01 -0.159191D+01 -0.156596D+01
      3  -0.153649D+01  0.373545D+01  0.400379D+00 -0.156596D+01  0.309833D+01
               121           122           123           124           125 
      1  -0.402872D+01 -0.159863D+01 -0.154882D+01  0.723214D+00 -0.175698D+01
      2  -0.159863D+01  0.441765D+00  0.189069D+01 -0.175698D+01  0.204513D+01
      3  -0.154882D+01  0.189069D+01 -0.300964D+00  0.284888D+01 -0.618769D+00
               126           127           128           129           130 
      1   0.284888D+01  0.222622D+01  0.475846D+01 -0.631133D+00  0.813514D+01
      2  -0.618769D+00  0.475846D+01 -0.107947D+00  0.169515D+01 -0.165575D+01
      3  -0.346244D+01 -0.631133D+00  0.169515D+01 -0.243791D+01  0.188446D+01
               131           132           133           134           135 
      1  -0.165575D+01  0.188446D+01 -0.173255D+01  0.869890D+00 -0.354890D+01
      2  -0.196484D+01 -0.292614D+01  0.869890D+00 -0.304076D+01 -0.292443D+01
      3  -0.292614D+01 -0.252256D+01 -0.354890D+01 -0.292443D+01  0.131726D+01
               136           137           138           139           140 
      1   0.301704D+01  0.402810D+01 -0.119907D+01  0.464958D+01 -0.155530D+01
      2   0.402810D+01 -0.451800D+00  0.180263D+01 -0.155530D+01 -0.122800D+01
      3  -0.119907D+01  0.180263D+01 -0.247517D+01  0.156833D+01 -0.393742D+01
               141           142           143           144           145 
      1   0.156833D+01 -0.140033D+01  0.105231D+01 -0.263984D+01 -0.620216D+02
      2  -0.393742D+01  0.105231D+01 -0.289879D+01 -0.223821D+01 -0.505241D+01
      3  -0.218118D+01 -0.263984D+01 -0.223821D+01  0.139358D+01  0.118876D+01
               146           147           148           149           150 
      1  -0.505241D+01  0.118876D+01 -0.168850D+02 -0.313700D+01  0.108965D+01
      2   0.804124D+01 -0.124032D+01 -0.313700D+01 -0.569493D+01  0.549300D+00
      3  -0.124032D+01  0.301813D+00  0.108965D+01  0.549300D+00 -0.821246D+00
               151           152           153           154           155 
      1   0.130145D+01 -0.835550D+00  0.615423D+00  0.346339D+02 -0.613140D+00
      2  -0.835550D+00 -0.302408D+00 -0.112369D+01 -0.613140D+00 -0.778795D+01
      3   0.615423D+00 -0.112369D+01  0.291297D+00 -0.570037D+00  0.377139D+00
               156           157           158           159           160 
      1  -0.570037D+00 -0.964151D+01 -0.240852D+01 -0.722399D+00  0.350368D+01
      2   0.377139D+00 -0.240852D+01 -0.464771D+01  0.155626D+00 -0.128122D+01
      3   0.222657D+00 -0.722399D+00  0.155626D+00 -0.196322D+00 -0.198321D+01
               161           162           163           164           165 
      1  -0.128122D+01 -0.198321D+01 -0.100885D+02 -0.308604D+01 -0.472706D+00
      2   0.911160D+00 -0.265409D+01 -0.308604D+01 -0.413798D+00  0.211035D+01
      3  -0.265409D+01  0.894722D+00 -0.472706D+00  0.211035D+01  0.334025D+01
               166           167           168           169           170 
      1  -0.152734D+02 -0.378110D+01  0.261890D+01  0.154413D+01  0.600068D+01
      2  -0.378110D+01  0.105089D+01 -0.182851D+01  0.600068D+01 -0.265631D+00
      3   0.261890D+01 -0.182851D+01 -0.173914D+01  0.508964D+01  0.145822D+01
               171           172           173           174           175 
      1   0.508964D+01  0.231341D+01  0.538971D+01  0.154684D+01  0.102873D+02
      2   0.145822D+01  0.538971D+01  0.307612D+00 -0.171157D+01 -0.382663D+00
      3   0.262902D+01  0.154684D+01 -0.171157D+01 -0.411915D+01 -0.198837D+01
               176           177           178           179           180 
      1  -0.382663D+00 -0.198837D+01  0.482476D+01 -0.104806D+01 -0.484841D+01
      2  -0.155104D+01  0.311746D+01 -0.104806D+01  0.331190D+01 -0.261203D+01
      3   0.311746D+01 -0.286972D+01 -0.484841D+01 -0.261203D+01 -0.161382D+01
               181           182           183           184           185 
      1   0.379298D+01 -0.470562D-01 -0.228245D+00 -0.136608D+01  0.433670D+01
      2  -0.470562D-01  0.339739D+01  0.954434D+00  0.433670D+01  0.574119D+00
      3  -0.228245D+00  0.954434D+00  0.199699D+01  0.123872D+01 -0.202660D+01
               186           187           188           189           190 
      1   0.123872D+01  0.127229D+01  0.128616D+01  0.436439D+01 -0.261874D+02
      2  -0.202660D+01  0.128616D+01  0.849382D-01  0.299001D+01 -0.685437D+01
      3   0.443994D+01  0.436439D+01  0.299001D+01  0.440986D+00  0.233073D+00
               191           192           193           194           195 
      1  -0.685437D+01  0.233073D+00 -0.965375D+01 -0.640725D+01 -0.179875D+00
      2  -0.108653D+02  0.102950D+01 -0.640725D+01 -0.130749D+02  0.188167D+01
      3   0.102950D+01 -0.136721D+01 -0.179875D+00  0.188167D+01 -0.146223D+01
               196           197           198           199           200 
      1  -0.233536D+01  0.146485D+00 -0.383453D+01  0.859716D+01  0.936104D+00
      2   0.146485D+00  0.161054D+01 -0.186878D+01  0.936104D+00 -0.619072D+00
      3  -0.383453D+01 -0.186878D+01  0.808571D+00  0.180235D+01  0.490885D+00
               201           202           203           204           205 
      1   0.180235D+01 -0.179639D+00 -0.216488D+01 -0.206568D+00 -0.239961D+01
      2   0.490885D+00 -0.216488D+01  0.975362D+00  0.289070D+00 -0.873003D+00
      3  -0.187633D+01 -0.206568D+00  0.289070D+00 -0.341532D+01 -0.233567D+01
               206           207           208           209           210 
      1  -0.873003D+00 -0.233567D+01  0.181526D+01  0.408528D+01  0.149946D+01
      2  -0.112105D+01 -0.333759D+01  0.408528D+01  0.378074D+01 -0.325667D+00
      3  -0.333759D+01  0.148694D+00  0.149946D+01 -0.325667D+00 -0.308377D+01
               211           212           213           214           215 
      1   0.678264D+01  0.592853D+01  0.654740D+00 -0.398565D+01 -0.341408D+01
      2   0.592853D+01 -0.133511D+00  0.225720D+01 -0.341408D+01 -0.367642D+00
      3   0.654740D+00  0.225720D+01  0.800985D+00 -0.454233D+01  0.146413D+00
               216           217           218           219           220 
      1  -0.454233D+01 -0.301437D+01 -0.402576D+01 -0.121088D+01 -0.464569D+01
      2   0.146413D+00 -0.402576D+01  0.467222D+00  0.178737D+01  0.157270D+01
      3  -0.213609D+01 -0.121088D+01  0.178737D+01  0.246695D+01  0.155212D+01
               221           222           223           224           225 
      1   0.157270D+01  0.155212D+01 -0.141874D+01  0.103109D+01  0.263742D+01
      2   0.121752D+01 -0.393880D+01  0.103109D+01 -0.290434D+01  0.225513D+01
      3  -0.393880D+01  0.219711D+01  0.263742D+01  0.225513D+01  0.139391D+01
               226           227           228           229           230 
      1  -0.219431D+01 -0.476790D+01 -0.652278D+00 -0.815407D+01  0.164828D+01
      2  -0.476790D+01  0.102692D+00  0.169386D+01  0.164828D+01  0.195990D+01
      3  -0.652278D+00  0.169386D+01  0.242689D+01  0.188580D+01 -0.291032D+01
               231           232           233           234           235 
      1   0.188580D+01 -0.175148D+01  0.866684D+00  0.354000D+01  0.276852D+01
      2  -0.291032D+01  0.866684D+00 -0.303107D+01  0.292227D+01  0.488808D+01
      3   0.251333D+01  0.354000D+01  0.292227D+01  0.133937D+01  0.410414D+00
               236           237           238           239           240 
      1   0.488808D+01  0.410414D+00  0.403512D+01  0.160165D+01 -0.154794D+01
      2   0.159895D+01 -0.156265D+01  0.160165D+01 -0.436560D+00  0.188946D+01
      3  -0.156265D+01 -0.308891D+01 -0.154794D+01  0.188946D+01  0.288895D+00
               241           242           243           244           245 
      1   0.738661D+00 -0.175489D+01 -0.284217D+01  0.363656D+02 -0.257596D+01
      2  -0.175489D+01  0.204224D+01  0.609757D+00 -0.257596D+01  0.276528D+01
      3  -0.284217D+01  0.609757D+00 -0.347727D+01  0.103641D+01 -0.970778D-01
               246           247           248           249           250 
      1   0.103641D+01  0.152567D+02  0.173102D+02 -0.218184D+01 -0.616713D+01
      2  -0.970778D-01  0.173102D+02  0.246845D+02 -0.302717D+01 -0.272795D+01
      3   0.978520D+00 -0.218184D+01 -0.302717D+01  0.248082D+01  0.180566D+01
               251           252           253           254           255 
      1  -0.272795D+01  0.180566D+01 -0.251235D+01  0.490335D+01 -0.291445D+00
      2  -0.318477D+01  0.474850D+01  0.490335D+01  0.392663D+01 -0.285897D+00
      3   0.474850D+01 -0.180993D+01 -0.291445D+00 -0.285897D+00  0.134666D+01
               256           257           258           259           260 
      1   0.353548D+01 -0.111957D+02  0.191006D+01  0.538262D+01  0.169117D+01
      2  -0.111957D+02 -0.457050D+01  0.668306D+00  0.169117D+01 -0.104859D+01
      3   0.191006D+01  0.668306D+00  0.545854D+00  0.104415D+01 -0.111511D+01
               261           262           263           264           265 
      1   0.104415D+01 -0.347748D+01 -0.859495D+00  0.173273D+01  0.225257D+01
      2  -0.111511D+01 -0.859495D+00 -0.415761D+01 -0.314582D-01  0.504326D+00
      3  -0.385426D+00  0.173273D+01 -0.314582D-01 -0.989740D+00 -0.670740D+00
               266           267           268           269           270 
      1   0.504326D+00 -0.670740D+00  0.180849D+01  0.473472D+00 -0.179562D+01
      2   0.471605D+01  0.117187D+01  0.473472D+00  0.434229D+01  0.153650D+01
      3   0.117187D+01  0.581435D+00 -0.179562D+01  0.153650D+01  0.373394D+01
               271           272           273           274           275 
      1  -0.478134D+02  0.859942D+01 -0.209626D+01  0.311157D+02 -0.318885D+01
      2   0.859942D+01  0.480738D+01 -0.982934D+00 -0.318885D+01  0.202532D+01
      3  -0.209626D+01 -0.982934D+00  0.333959D+00  0.145581D+01 -0.488162D-01
               276           277           278           279           280 
      1   0.145581D+01 -0.150639D+02  0.238505D+00  0.136383D+01 -0.300988D+01
      2  -0.488162D-01  0.238505D+00  0.473690D+00  0.105412D+01 -0.109484D+01
      3   0.134955D+00  0.136383D+01  0.105412D+01 -0.225818D+00 -0.167088D+01
               281           282           283           284           285 
      1  -0.109484D+01 -0.167088D+01 -0.325326D+00 -0.335594D+00  0.118539D+00
      2  -0.451696D+01  0.108814D+01 -0.335594D+00  0.185085D+01 -0.127988D+01
      3   0.108814D+01 -0.150727D+01  0.118539D+00 -0.127988D+01  0.137643D+00
               286           287           288           289           290 
      1  -0.193524D+01 -0.345502D+00 -0.198384D+01  0.194356D+01  0.212351D+01
      2  -0.345502D+00 -0.264452D+01  0.138646D+01  0.212351D+01  0.196566D+01
      3  -0.198384D+01  0.138646D+01 -0.359240D+01 -0.556018D+00 -0.395218D+00
               291           292           293           294           295 
      1  -0.556018D+00  0.153645D-01  0.257390D+01 -0.324226D+00 -0.274764D+00
      2  -0.395218D+00  0.257390D+01  0.623279D+01 -0.104434D+01 -0.387347D+00
      3   0.673077D+00 -0.324226D+00 -0.104434D+01  0.616537D+00  0.768585D+00
               296           297           298           299           300 
      1  -0.387347D+00  0.768585D+00 -0.195224D+01 -0.212424D+01 -0.556681D+00
      2  -0.706857D+00  0.150866D+01 -0.212424D+01 -0.196644D+01 -0.396042D+00
      3   0.150866D+01 -0.906083D+00 -0.556681D+00 -0.396042D+00 -0.673374D+00
               301           302           303           304           305 
      1  -0.230873D-01 -0.257418D+01 -0.324459D+00 -0.277192D+00 -0.387588D+00
      2  -0.257418D+01 -0.622919D+01 -0.104462D+01 -0.387588D+00 -0.707817D+00
      3  -0.324459D+00 -0.104462D+01 -0.616909D+00 -0.769218D+00 -0.150844D+01
               306           307           308           309           310 
      1  -0.769218D+00  0.301099D+01  0.109449D+01 -0.167085D+01  0.322631D+00
      2  -0.150844D+01  0.109449D+01  0.451625D+01  0.108805D+01  0.336574D+00
      3  -0.906329D+00 -0.167085D+01  0.108805D+01  0.150732D+01  0.118909D+00
               311           312           313           314           315 
      1   0.336574D+00  0.118909D+00 -0.193496D+01 -0.344801D+00  0.198345D+01
      2  -0.185229D+01 -0.128048D+01 -0.344801D+00 -0.264217D+01 -0.138668D+01
      3  -0.128048D+01 -0.139024D+00  0.198345D+01 -0.138668D+01 -0.359016D+01
               316           317           318           319           320 
      1  -0.513208D+01 -0.352108D+01 -0.149288D+01 -0.480267D+01 -0.481105D+01
      2  -0.352108D+01 -0.426948D+01 -0.934961D+00 -0.481105D+01 -0.627184D+01
      3  -0.149288D+01 -0.934961D+00 -0.103264D+01 -0.150469D+01 -0.201865D+01
               321           322           323           324           325 
      1  -0.150469D+01  0.836822D+00  0.420967D+00 -0.474289D+00  0.200174D+01
      2  -0.201865D+01  0.420967D+00 -0.883244D+00 -0.101580D+01 -0.121735D+01
      3  -0.164288D+01 -0.474289D+00 -0.101580D+01 -0.671478D+00 -0.174284D+01
               326           327           328           329           330 
      1  -0.121735D+01 -0.174284D+01 -0.636486D+00 -0.132828D-01  0.274279D+00
      2   0.101983D+01  0.135547D+01 -0.132828D-01 -0.137536D+01 -0.136422D+01
      3   0.135547D+01  0.355830D+01  0.274279D+00 -0.136422D+01 -0.107929D+01
               331           332           333           334           335 
      1  -0.795776D+00  0.498241D+00  0.148642D+01 -0.135504D+02 -0.618784D+00
      2   0.498241D+00 -0.141528D+01 -0.178051D+01 -0.618784D+00 -0.112531D+01
      3   0.148642D+01 -0.178051D+01 -0.469209D+01 -0.339404D+01  0.177681D+00
               336           337           338           339           340 
      1  -0.339404D+01 -0.701864D+00 -0.129083D+01  0.322182D+00 -0.174768D+01
      2   0.177681D+00 -0.129083D+01  0.593086D-01 -0.153477D+00  0.217604D+00
      3  -0.274479D+01  0.322182D+00 -0.153477D+00 -0.468911D+00 -0.222527D+01
               341           342           343           344           345 
      1   0.217604D+00 -0.222527D+01 -0.383335D+00  0.378224D+00 -0.894260D+00
      2   0.504728D+00 -0.401391D+00  0.378224D+00  0.654578D+00 -0.622873D+00
      3  -0.401391D+00 -0.236297D+00 -0.894260D+00 -0.622873D+00  0.191269D+01
               346           347           348           349           350 
      1   0.572271D+00  0.607704D-01  0.314858D+00 -0.803080D+00  0.328746D+00
      2   0.607704D-01  0.160598D+01 -0.180258D+01  0.328746D+00 -0.158951D+01
      3   0.314858D+00 -0.180258D+01  0.307763D+01 -0.308822D+00  0.226170D+01
               351           352           353           354           355 
      1  -0.308822D+00 -0.414916D+01  0.293666D+01  0.403284D+00  0.386048D+01
      2   0.226170D+01  0.293666D+01 -0.192542D+01 -0.379298D+00 -0.277771D+01
      3  -0.607757D+01  0.403284D+00 -0.379298D+00 -0.921279D+00 -0.397733D+00
               356           357           358           359           360 
      1  -0.277771D+01 -0.397733D+00  0.764745D+00 -0.881659D+00 -0.139599D+01
      2   0.480169D+01  0.491741D+00 -0.881659D+00  0.532840D+00  0.710628D+00
      3   0.491741D+00  0.510444D+00 -0.139599D+01  0.710628D+00  0.491088D+00
               361           362           363           364           365 
      1   0.584735D+01  0.223464D+01  0.250839D+00  0.200042D+01  0.965773D+00
      2   0.223464D+01  0.132874D+01 -0.267508D+00  0.965773D+00  0.732121D+00
      3   0.250839D+00 -0.267508D+00  0.238252D+01 -0.118748D+00  0.652255D+00
               366           367           368           369           370 
      1  -0.118748D+00 -0.286561D+00 -0.231174D+00  0.105011D+01 -0.255187D+00
      2   0.652255D+00 -0.231174D+00  0.519799D+00  0.386445D+00 -0.249815D+00
      3   0.854044D+00  0.105011D+01  0.386445D+00  0.101575D+00  0.900311D+00
               371           372           373           374           375 
      1  -0.249815D+00  0.900311D+00 -0.841467D+00 -0.802160D+00  0.748333D+00
      2  -0.829850D-01 -0.130099D+00 -0.802160D+00 -0.344452D+01  0.289539D+01
      3  -0.130099D+00 -0.407789D+00  0.748333D+00  0.289539D+01 -0.456650D+01
               376           377           378           379           380 
      1   0.111343D+01  0.421997D+00 -0.107566D+01 -0.339573D+01  0.189596D+01
      2   0.421997D+00  0.205034D+01 -0.256601D+01  0.189596D+01 -0.164127D+01
      3  -0.107566D+01 -0.256601D+01  0.493485D+01  0.240690D+01 -0.136036D+01
               381           382           383           384           385 
      1   0.240690D+01  0.270441D+01 -0.197303D+01 -0.199859D+01  0.152900D+01
      2  -0.136036D+01 -0.197303D+01  0.254305D+01  0.234395D+01 -0.948458D+00
      3  -0.298170D+01 -0.199859D+01  0.234395D+01  0.274735D+01 -0.207295D+01
               386           387           388           389           390 
      1  -0.948458D+00 -0.207295D+01 -0.293621D+01 -0.486800D+00 -0.140198D+01
      2   0.143496D+01  0.120344D+01 -0.486800D+00 -0.766338D+00 -0.107041D+01
      3   0.120344D+01  0.298346D+01 -0.140198D+01 -0.107041D+01 -0.150265D+01
               391           392           393           394           395 
      1  -0.642736D+00 -0.114740D+01 -0.115576D+01 -0.362689D+01 -0.168319D+01
      2  -0.114740D+01 -0.119194D+01 -0.804273D+00 -0.168319D+01 -0.125730D+01
      3  -0.115576D+01 -0.804273D+00 -0.590359D+00 -0.161484D+01 -0.727745D+00
               396           397           398           399           400 
      1  -0.161484D+01 -0.661620D+01  0.215345D+01  0.204678D+01  0.642448D+01
      2  -0.727745D+00  0.215345D+01 -0.130455D+01 -0.626867D+00 -0.211513D+01
      3  -0.403622D+01  0.204678D+01 -0.626867D+00 -0.152139D+01 -0.193388D+01
               401           402           403           404           405 
      1  -0.211513D+01 -0.193388D+01  0.308896D+01 -0.708529D+00 -0.226560D+01
      2   0.176943D+01  0.107489D+01 -0.708529D+00  0.958156D+00  0.315735D+00
      3   0.107489D+01  0.124229D+01 -0.226560D+01  0.315735D+00  0.144958D+01
               406           407           408           409           410 
      1  -0.947630D+00 -0.590162D+00  0.756315D+00 -0.244888D+01 -0.256363D+01
      2  -0.590162D+00 -0.311371D+00  0.126732D+00 -0.256363D+01 -0.467774D+01
      3   0.756315D+00  0.126732D+00 -0.427131D+00  0.139334D+01  0.275342D+01
               411           412           413           414           415 
      1   0.139334D+01  0.259075D+01  0.145229D+01 -0.199023D+01  0.268918D+01
      2   0.275342D+01  0.145229D+01  0.283132D+01 -0.250225D+01 -0.218797D+01
      3  -0.261807D+01 -0.199023D+01 -0.250225D+01  0.295845D+01 -0.104547D+01
               416           417           418           419           420 
      1  -0.218797D+01 -0.104547D+01 -0.159801D+01  0.144374D+01  0.591973D+00
      2   0.305133D+01  0.796965D+00  0.144374D+01 -0.348295D+01 -0.123620D+01
      3   0.796965D+00  0.149754D+01  0.591973D+00 -0.123620D+01 -0.740327D+00
               421           422           423           424           425 
      1  -0.173910D+01  0.100061D+01  0.128335D+01 -0.520407D+01 -0.392742D+01
      2   0.100061D+01 -0.290681D+01 -0.125220D+01 -0.392742D+01 -0.510758D+01
      3   0.128335D+01 -0.125220D+01 -0.128344D+01  0.500767D+00  0.807598D+00
               426           427           428           429           430 
      1   0.500767D+00 -0.260346D+01 -0.325559D+01  0.495929D+00 -0.493688D-01
      2   0.807598D+00 -0.325559D+01 -0.552933D+01  0.466710D+00  0.274110D+00
      3  -0.740558D+00  0.495929D+00  0.466710D+00 -0.731598D+00 -0.477882D+00
               431           432           433           434           435 
      1   0.274110D+00 -0.477882D+00  0.872443D+00 -0.844975D+00  0.109807D+01
      2  -0.139216D+00 -0.880446D+00 -0.844975D+00  0.903122D+00 -0.524952D+00
      3  -0.880446D+00  0.576802D+00  0.109807D+01 -0.524952D+00  0.214901D+01
               436           437           438           439           440 
      1   0.230546D-01  0.296499D+00  0.853165D-01  0.114750D+01 -0.369091D+00
      2   0.296499D+00 -0.276085D-01  0.719440D+00 -0.369091D+00  0.212350D+01
      3   0.853165D-01  0.719440D+00 -0.172116D+00  0.138535D+01 -0.187773D+01
               441           442           443           444           445 
      1   0.138535D+01  0.249225D+00  0.248946D+00  0.897265D+00  0.837438D+00
      2  -0.187773D+01  0.248946D+00  0.762744D-01 -0.134273D+00  0.794590D+00
      3   0.609738D+01  0.897265D+00 -0.134273D+00  0.395651D+00  0.740837D+00
               446           447           448           449           450 
      1   0.794590D+00  0.740837D+00  0.110860D+01  0.415608D+00  0.106585D+01
      2   0.345057D+01  0.289282D+01  0.415608D+00  0.204953D+01  0.256605D+01
      3   0.289282D+01  0.456948D+01  0.106585D+01  0.256605D+01  0.492128D+01
               451           452           453           454           455 
      1  -0.587130D+01 -0.225805D+01  0.232932D+00 -0.201351D+01 -0.977717D+00
      2  -0.225805D+01 -0.135382D+01 -0.283615D+00 -0.977717D+00 -0.741227D+00
      3   0.232932D+00 -0.283615D+00 -0.238592D+01 -0.125428D+00  0.647248D+00
               456           457           458           459           460 
      1  -0.125428D+00 -0.330106D+00 -0.265752D+00 -0.107049D+01  0.339351D+01
      2   0.647248D+00 -0.265752D+00  0.488156D+00 -0.406432D+00 -0.189099D+01
      3  -0.858006D+00 -0.107049D+01 -0.406432D+00  0.817599D-01  0.240875D+01
               461           462           463           464           465 
      1  -0.189099D+01  0.240875D+01 -0.269838D+01  0.196644D+01 -0.199902D+01
      2   0.163672D+01 -0.136145D+01  0.196644D+01 -0.253511D+01  0.234456D+01
      3  -0.136145D+01  0.298930D+01 -0.199902D+01  0.234456D+01 -0.275273D+01
               466           467           468           469           470 
      1   0.153424D+01 -0.949468D+00  0.207966D+01  0.944944D+00  0.590768D+00
      2  -0.949468D+00  0.143714D+01 -0.120752D+01  0.590768D+00  0.309386D+00
      3   0.207966D+01 -0.120752D+01  0.299929D+01  0.755469D+00  0.125530D+00
               471           472           473           474           475 
      1   0.755469D+00  0.245036D+01  0.256237D+01  0.139422D+01  0.258899D+01
      2   0.125530D+00  0.256237D+01  0.468056D+01  0.275691D+01  0.144839D+01
      3   0.426987D+00  0.139422D+01  0.275691D+01  0.262128D+01  0.199071D+01
               476           477           478           479           480 
      1   0.144839D+01  0.199071D+01  0.659494D+01 -0.215326D+01  0.204814D+01
      2   0.282946D+01  0.249954D+01 -0.215326D+01  0.130398D+01 -0.629842D+00
      3   0.249954D+01  0.295687D+01  0.204814D+01 -0.629842D+00  0.152387D+01
               481           482           483           484           485 
      1  -0.642045D+01  0.211599D+01 -0.194109D+01  0.309766D+01 -0.713347D+00
      2   0.211599D+01 -0.177204D+01  0.107966D+01 -0.713347D+00  0.960970D+00
      3  -0.194109D+01  0.107966D+01 -0.124865D+01  0.227378D+01 -0.320420D+00
               486           487           488           489           490 
      1   0.227378D+01  0.285772D+01  0.487987D+00 -0.149066D+01  0.661715D+00
      2  -0.320420D+00  0.487987D+00  0.764380D+00 -0.108255D+01  0.114213D+01
      3   0.145869D+01 -0.149066D+01 -0.108255D+01  0.142048D+01 -0.114729D+01
               491           492           493           494           495 
      1   0.114213D+01 -0.114729D+01 -0.371699D+01 -0.168906D+01  0.153036D+01
      2   0.118411D+01 -0.811698D+00 -0.168906D+01 -0.126224D+01  0.701325D+00
      3  -0.811698D+00  0.575484D+00  0.153036D+01  0.701325D+00 -0.413094D+01
               496           497           498           499           500 
      1   0.135767D+02  0.626540D+00 -0.334969D+01  0.711838D+00  0.130707D+01
      2   0.626540D+00  0.113992D+01  0.214185D+00  0.130707D+01 -0.439864D-01
      3  -0.334969D+01  0.214185D+00  0.281096D+01  0.360367D+00 -0.116427D+00
               501           502           503           504           505 
      1   0.360367D+00 -0.170319D+01  0.248790D+00  0.227720D+01  0.384796D+00
      2  -0.116427D+00  0.248790D+00  0.534232D+00  0.459017D+00 -0.380374D+00
      3   0.544756D+00  0.227720D+01  0.459017D+00 -0.102039D+00 -0.893820D+00
               506           507           508           509           510 
      1  -0.380374D+00 -0.893820D+00 -0.574399D+00 -0.587918D-01  0.317513D+00
      2  -0.654635D+00 -0.623120D+00 -0.587918D-01 -0.160768D+01 -0.180427D+01
      3  -0.623120D+00 -0.191353D+01  0.317513D+00 -0.180427D+01 -0.307831D+01
               511           512           513           514           515 
      1  -0.802230D+00  0.331554D+00  0.313285D+00 -0.198958D+01  0.121493D+01
      2   0.331554D+00 -0.159127D+01 -0.226387D+01  0.121493D+01 -0.101848D+01
      3   0.313285D+00 -0.226387D+01 -0.607922D+01 -0.173523D+01  0.135538D+01
               516           517           518           519           520 
      1  -0.173523D+01  0.641072D+00  0.143875D-01  0.277134D+00 -0.794102D+00
      2   0.135538D+01  0.143875D-01  0.137442D+01 -0.136565D+01  0.498524D+00
      3  -0.355628D+01  0.277134D+00 -0.136565D+01  0.108557D+01 -0.148458D+01
               521           522           523           524           525 
      1   0.498524D+00 -0.148458D+01  0.517363D+01  0.352180D+01 -0.146069D+01
      2  -0.141661D+01  0.178475D+01  0.352180D+01  0.427004D+01 -0.935437D+00
      3   0.178475D+01 -0.470701D+01 -0.146069D+01 -0.935437D+00  0.106067D+01
               526           527           528           529           530 
      1   0.479898D+01  0.481045D+01 -0.151080D+01  0.871372D+00  0.419855D+00
      2   0.481045D+01  0.626213D+01 -0.201426D+01  0.419855D+00 -0.878218D+00
      3  -0.151080D+01 -0.201426D+01  0.163564D+01  0.499629D+00  0.101431D+01
               531           532           533           534           535 
      1   0.499629D+00  0.414172D+01 -0.292794D+01  0.404469D+00 -0.385303D+01
      2   0.101431D+01 -0.292794D+01  0.195609D+01 -0.380397D+00  0.279169D+01
      3  -0.647079D+00  0.404469D+00 -0.380397D+00  0.920809D+00 -0.400270D+00
               536           537           538           539           540 
      1   0.279169D+01 -0.400270D+00  0.766208D+00 -0.886894D+00  0.139609D+01
      2  -0.474260D+01  0.496424D+00 -0.886894D+00  0.527759D+00 -0.712650D+00
      3   0.496424D+00 -0.512550D+00  0.139609D+01 -0.712650D+00  0.495511D+00
               541           542           543           544           545 
      1   0.521411D+01  0.392699D+01  0.503830D+00  0.260104D+01  0.325670D+01
      2   0.392699D+01  0.510982D+01  0.808341D+00  0.325670D+01  0.551944D+01
      3   0.503830D+00  0.808341D+00  0.740544D+00  0.496790D+00  0.467335D+00
               546           547           548           549           550 
      1   0.496790D+00 -0.440253D-01  0.275982D+00  0.478281D+00 -0.267882D+01
      2   0.467335D+00  0.275982D+00 -0.134803D+00  0.881375D+00  0.218437D+01
      3   0.731742D+00  0.478281D+00  0.881375D+00  0.577228D+00 -0.104558D+01
               551           552           553           554           555 
      1   0.218437D+01 -0.104558D+01  0.159121D+01 -0.144313D+01  0.593008D+00
      2  -0.305074D+01  0.800426D+00 -0.144313D+01  0.348663D+01 -0.124165D+01
      3   0.800426D+00 -0.149965D+01  0.593008D+00 -0.124165D+01  0.744636D+00
               556           557           558           559           560 
      1  -0.173669D+01  0.100113D+01 -0.128471D+01 -0.877454D+00  0.846078D+00
      2   0.100113D+01 -0.291556D+01  0.125834D+01  0.846078D+00 -0.909574D+00
      3  -0.128471D+01  0.125834D+01 -0.129109D+01  0.110086D+01 -0.527303D+00
               561           562           563           564           565 
      1   0.110086D+01 -0.232473D-01 -0.299164D+00  0.837655D-01  0.114871D+01
      2  -0.527303D+00 -0.299164D+00  0.316594D-01  0.721402D+00 -0.369919D+00
      3  -0.215276D+01  0.837655D-01  0.721402D+00  0.174119D+00 -0.138849D+01
               566           567 
      1  -0.369919D+00 -0.138849D+01
      2   0.212429D+01  0.187588D+01
      3   0.187588D+01  0.608809D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.641380D+01 -0.718307D+01 -0.887780D+00  0.119194D+01  0.245029D+01
      2  -0.902829D+01  0.140468D+01  0.167234D+02 -0.677146D+01  0.526465D+01
      3   0.148949D+02 -0.789753D+01 -0.294911D+01 -0.886879D+01  0.201114D+01
                 6             7             8             9            10 
      1  -0.316407D+01 -0.350084D+01  0.599581D+01 -0.745806D+01 -0.359840D+01
      2   0.202635D+02  0.115685D+02  0.201190D+02  0.438808D+01 -0.124069D+01
      3  -0.200599D+01  0.455243D+01  0.943095D+01 -0.212685D+02 -0.179005D+02
                11            12            13            14            15 
      1   0.603622D+01  0.146134D+01 -0.309924D-01  0.822978D+00 -0.417102D+01
      2   0.335872D+01 -0.824060D+01  0.951860D+01 -0.103092D+02 -0.221836D+02
      3   0.220074D+02 -0.630457D+01  0.706970D+02  0.419093D+01  0.106530D+02
                16            17            18            19            20 
      1   0.150119D+02  0.521344D+01  0.367425D+01  0.151175D+02 -0.637327D+01
      2  -0.250988D+02 -0.184463D+02  0.963654D+00  0.416921D+01  0.499617D+01
      3  -0.149208D+02 -0.547003D+01  0.188200D+02 -0.877008D+01 -0.672195D+02
                21            22            23            24            25 
      1  -0.123925D+00  0.423573D+02  0.344890D+01 -0.136874D+01  0.328177D+01
      2   0.544171D+01 -0.117107D+03  0.943689D+01  0.527518D+01  0.113803D+03
      3  -0.449650D+01  0.131106D+03 -0.641774D+02 -0.803450D+01  0.610047D+02
                26            27            28            29            30 
      1  -0.344294D+00  0.125304D+01  0.943919D+01  0.223232D+01  0.192747D+01
      2   0.188309D+01  0.288720D+01 -0.238376D+03 -0.168596D+02 -0.165140D+02
      3  -0.106773D+02 -0.132223D+02  0.222942D+03 -0.411931D+02 -0.716796D+01
                31            32            33            34            35 
      1   0.165855D+02 -0.879370D+01  0.499673D+01  0.266721D+02  0.801905D+01
      2  -0.270867D+02 -0.203807D+02  0.337888D+00  0.120075D+01  0.736277D+01
      3  -0.134282D+02 -0.810684D+01 -0.432411D+00  0.745669D+02 -0.704712D+01
                36            37            38            39            40 
      1   0.159840D+00  0.118216D+02 -0.269435D+01  0.393359D+01 -0.919723D+01
      2   0.258637D+01 -0.653016D+01  0.126502D+02 -0.615695D+01  0.658516D+02
      3  -0.140985D+02 -0.221663D+01  0.162979D+00 -0.950215D+01  0.121953D+02
                41            42            43            44            45 
      1   0.342727D+01 -0.103285D+02 -0.147000D+01  0.187382D+02 -0.443934D+01
      2   0.703475D+01  0.122322D+02 -0.156763D+03 -0.254468D+02  0.565451D+01
      3   0.124448D+02  0.136657D+02 -0.454690D+02  0.959916D+01 -0.372519D+01
                46            47            48            49            50 
      1   0.459155D+01  0.369778D+01 -0.813912D+01  0.937807D+01 -0.862338D+01
      2   0.277997D+02 -0.137203D+01  0.182785D+02  0.271333D+02  0.797554D+01
      3   0.260389D+02  0.389006D+01  0.547997D+01  0.195501D+02 -0.139653D+02
                51            52            53            54            55 
      1  -0.320041D+01 -0.125876D+02  0.130273D+01  0.683093D+01 -0.111517D+02
      2  -0.486243D+01  0.300804D+02  0.103815D+01 -0.235684D+01  0.105687D+01
      3  -0.101366D+02  0.346137D+01 -0.528332D+01  0.135869D+02  0.237247D+02
                56            57            58            59            60 
      1   0.551625D+01 -0.589066D+01  0.875109D+01 -0.518017D+00 -0.934725D+00
      2  -0.642677D+01  0.235841D+02 -0.467189D+02  0.783016D+01  0.130709D+02
      3  -0.101669D+02  0.107914D+02 -0.298611D+02 -0.135898D+02 -0.209074D+02
                61            62            63            64            65 
      1  -0.900265D+01  0.506060D+01  0.460778D+01  0.247427D+02  0.247162D+01
      2   0.309743D+02  0.144789D+02 -0.106858D+02 -0.519981D+02 -0.268773D+02
      3   0.931123D+01 -0.178889D+02 -0.997324D+01  0.208388D+02  0.387888D+02
                66            67            68            69            70 
      1   0.681225D+00 -0.173653D+01  0.209641D+01 -0.357960D+01  0.164175D+01
      2   0.287490D+02 -0.140056D+03 -0.165465D+02  0.904353D+01  0.218018D+03
      3   0.255599D+02 -0.406268D+03 -0.689717D+02  0.119196D+02 -0.877104D+02
                71            72            73            74            75 
      1  -0.137137D+02 -0.221570D+01  0.100346D+00 -0.233664D-01  0.320166D+01
      2   0.144630D+02  0.313383D+01 -0.449578D+00 -0.294750D-01 -0.507721D+02
      3  -0.309991D+01  0.210643D+01  0.331328D+02 -0.347260D+02 -0.963983D-02
                76            77            78            79            80 
      1   0.443576D+00  0.240261D-01 -0.132061D+01  0.742644D+02  0.419612D+02
      2  -0.639971D+00 -0.253719D+00 -0.479810D+01 -0.961816D+03  0.119759D+02
      3   0.105846D+04 -0.202296D+02 -0.193011D+00 -0.564343D-01  0.337828D-01
                81            82            83            84            85 
      1  -0.983131D-02  0.104136D+03  0.518613D+01 -0.297344D+01 -0.509792D+02
      2   0.115752D+00 -0.314636D+03 -0.325628D+02  0.193935D+02  0.392002D+03
      3   0.695998D+01  0.392272D+02  0.421972D+02  0.208118D+02 -0.331678D+03
                86            87            88            89            90 
      1  -0.171526D+00 -0.117151D+01 -0.594240D+02 -0.138457D+02 -0.204865D+01
      2   0.219535D+02 -0.563853D+01  0.236669D+03 -0.227753D+02 -0.103129D+01
      3   0.610555D+02 -0.166868D+02 -0.972304D+02 -0.149790D+01 -0.395922D+01
                91            92            93            94            95 
      1  -0.789635D+02 -0.314158D+01 -0.857271D-02 -0.470039D+02  0.496081D+01
      2   0.747331D+02 -0.415412D+01 -0.125187D+02  0.334451D+02  0.673505D+01
      3  -0.327045D+03  0.111018D+02 -0.638638D+01  0.147015D+03  0.126381D+03
                96            97            98            99           100 
      1  -0.151674D+01 -0.247679D+02  0.130975D+02  0.150569D+01  0.172525D+01
      2  -0.100214D+02 -0.209200D+02 -0.175313D+02 -0.737229D+01 -0.113227D+02
      3   0.157320D+02  0.563999D+02  0.182782D+02  0.258490D+02 -0.187353D+02
               101           102           103           104           105 
      1   0.314981D+01 -0.387607D+01 -0.928296D+01 -0.573095D+01  0.672845D-01
      2  -0.251390D+01 -0.464560D+01  0.358392D+02 -0.708902D+00 -0.356152D+00
      3   0.227779D+02  0.920103D+00 -0.773021D+02 -0.513538D+02 -0.719425D+01
               106           107           108           109           110 
      1   0.238589D+02  0.167631D+02  0.105775D+01  0.124172D+02 -0.650007D+00
      2  -0.564340D+02  0.197636D+02 -0.456654D+00 -0.421872D+01 -0.734708D+00
      3  -0.262549D+02  0.229866D+01 -0.174308D+00 -0.802497D+01 -0.194153D+02
               111           112           113           114           115 
      1   0.437203D+01 -0.103753D+02  0.392097D+01 -0.495499D+01  0.950473D+01
      2   0.605182D+01  0.611100D+01  0.286992D+01 -0.416780D+01 -0.238314D+01
      3  -0.533443D+01  0.130116D+02  0.210178D+02 -0.293454D+01  0.136357D+01
               116           117           118           119           120 
      1  -0.486418D+01  0.138560D+02 -0.506657D+01  0.597235D+01 -0.121273D+02
      2  -0.690407D+01  0.140495D+02 -0.108673D+02 -0.218685D+01  0.111939D+02
      3  -0.185029D+02  0.313270D+00  0.706774D+01 -0.202005D+02  0.649169D+01
               121           122           123           124           125 
      1   0.266420D+01 -0.848182D+01  0.338017D+00 -0.114186D+02  0.932968D+01
      2  -0.725740D+00  0.629170D+01  0.409921D+00  0.970667D+01  0.129364D+01
      3  -0.382352D+01 -0.767967D+01 -0.136272D+02  0.141187D+02 -0.135649D+02
               126           127           128           129           130 
      1   0.146942D+02  0.723280D+01 -0.443486D+01  0.669821D+01 -0.100074D+02
      2  -0.127305D+02 -0.776238D+01  0.668216D+01 -0.157742D+02  0.223055D+02
      3   0.148528D+02 -0.289870D+02  0.883376D+01 -0.125361D+02  0.400126D+02
               131           132           133           134           135 
      1   0.178756D+01 -0.187897D+01  0.908089D+01  0.419691D+01 -0.614259D+01
      2  -0.146674D+02 -0.192253D+02 -0.352666D+02 -0.245875D+02  0.129689D+02
      3   0.124235D+02  0.251560D+02 -0.112485D+02  0.215328D+02  0.149918D+02
               136           137           138           139           140 
      1   0.138687D+02 -0.257753D+01  0.702872D+01 -0.769507D+01  0.155057D+00
      2  -0.236978D+02 -0.545282D+01 -0.422193D+01 -0.948099D+01 -0.170385D+02
      3  -0.196668D+02  0.180755D+01 -0.835760D+01  0.133451D+02  0.514675D+01
               141           142           143           144           145 
      1  -0.163160D+02  0.460527D+01 -0.653789D+01 -0.803676D+01 -0.248701D+02
      2  -0.156769D+02 -0.746109D+01 -0.117914D+02  0.143584D+02  0.520783D+02
      3   0.185452D+02 -0.178272D+01  0.145100D+02  0.939584D+01  0.240115D+02
               146           147           148           149           150 
      1  -0.242153D+01  0.692189D+00  0.158359D+01 -0.218863D+01 -0.356132D+01
      2   0.271704D+02  0.287612D+02  0.139775D+03  0.165471D+02  0.901812D+01
      3   0.386641D+02 -0.255191D+02 -0.403817D+03 -0.690746D+02 -0.117725D+02
               151           152           153           154           155 
      1   0.164189D+01 -0.136912D+02  0.222135D+01 -0.922636D+01 -0.226939D+01
      2   0.217895D+03  0.143100D+02 -0.320347D+01  0.238554D+03  0.166881D+02
      3   0.875273D+02  0.309090D+01  0.208967D+01  0.224026D+03 -0.411621D+02
               156           157           158           159           160 
      1   0.193921D+01 -0.168077D+02  0.887223D+01  0.498896D+01  0.268658D+02
      2  -0.165797D+02  0.276039D+02  0.206982D+02  0.340195D+00  0.964359D+00
      3   0.704634D+01 -0.123910D+02 -0.817858D+01  0.453959D+00 -0.748045D+02
               161           162           163           164           165 
      1   0.799855D+01 -0.160800D+00 -0.118235D+02  0.268628D+01  0.392029D+01
      2   0.735708D+01 -0.260312D+01  0.666607D+01 -0.126402D+02 -0.611348D+01
      3   0.710062D+01 -0.140799D+02 -0.228591D+01  0.135134D+00  0.950621D+01
               166           167           168           169           170 
      1   0.918866D+01 -0.341819D+01 -0.103075D+02 -0.157988D+01  0.187573D+02
      2  -0.659149D+02 -0.704531D+01  0.121959D+02 -0.156606D+03 -0.254772D+02
      3   0.119864D+02  0.124102D+02 -0.136540D+02  0.455322D+02 -0.957661D+01
               171           172           173           174           175 
      1   0.447466D+01  0.111918D+02 -0.550138D+01 -0.587118D+01 -0.873335D+01
      2  -0.568300D+01 -0.113048D+01  0.636562D+01  0.235132D+02  0.466437D+02
      3  -0.367562D+01  0.238122D+02 -0.101042D+02 -0.107531D+02 -0.297459D+02
               176           177           178           179           180 
      1   0.529531D+00 -0.965705D+00 -0.896503D+01  0.504165D+01 -0.463969D+01
      2  -0.783143D+01  0.131359D+02  0.308819D+02  0.145101D+02  0.107617D+02
      3  -0.135780D+02  0.208731D+02 -0.919455D+01  0.178714D+02 -0.100427D+02
               181           182           183           184           185 
      1   0.357785D+01 -0.604824D+01  0.146486D+01  0.422964D-01 -0.846814D+00
      2   0.125624D+01 -0.333646D+01 -0.820976D+01 -0.947377D+01  0.102773D+02
      3  -0.179860D+02  0.219358D+02  0.628374D+01  0.706832D+02  0.416326D+01
               186           187           188           189           190 
      1  -0.416174D+01  0.149825D+02  0.519340D+01 -0.367743D+01 -0.150917D+02
      2  -0.222064D+02 -0.250521D+02 -0.184634D+02 -0.102570D+01 -0.441903D+01
      3  -0.106088D+02  0.149365D+02  0.552160D+01  0.188399D+02 -0.916206D+01
               191           192           193           194           195 
      1   0.639334D+01 -0.125486D+00 -0.421302D+02 -0.345649D+01 -0.135992D+01
      2  -0.499608D+01  0.543107D+01  0.117060D+03 -0.975080D+01  0.525441D+01
      3  -0.672345D+02  0.447110D+01  0.130965D+03 -0.642085D+02  0.795284D+01
               196           197           198           199           200 
      1   0.334709D+01 -0.341025D+00 -0.123729D+01  0.644178D+01  0.720316D+01
      2   0.113644D+03  0.189801D+01 -0.294240D+01  0.884183D+01 -0.152348D+01
      3  -0.613413D+02  0.105836D+02 -0.131435D+02  0.149086D+02 -0.791072D+01
               201           202           203           204           205 
      1  -0.968350D+00 -0.114285D+01 -0.240364D+01 -0.323924D+01 -0.356134D+01
      2   0.169386D+02  0.658894D+01 -0.537086D+01  0.205452D+02  0.117509D+02
      3   0.306002D+01 -0.889890D+01  0.193527D+01  0.205794D+01 -0.444634D+01
               206           207           208           209           210 
      1   0.596847D+01  0.757466D+01 -0.464819D+01 -0.370150D+01 -0.806389D+01
      2   0.203005D+02 -0.473600D+01 -0.276054D+02  0.136738D+01  0.180892D+02
      3  -0.939415D+01 -0.213964D+02  0.260232D+02  0.390326D+01 -0.543332D+01
               211           212           213           214           215 
      1  -0.937797D+01  0.862895D+01 -0.324626D+01 -0.125101D+02  0.128075D+01
      2  -0.271956D+02 -0.801393D+01 -0.475969D+01  0.298260D+02  0.108464D+01
      3   0.196544D+02 -0.139404D+02  0.101459D+02 -0.344000D+01  0.529812D+01
               216           217           218           219           220 
      1  -0.692647D+01 -0.138594D+02  0.262278D+01  0.697996D+01  0.775760D+01
      2   0.258151D+01  0.237466D+02  0.551752D+01 -0.416425D+01  0.952539D+01
      3   0.134617D+02 -0.196471D+02  0.187994D+01  0.829301D+01  0.134506D+02
               221           222           223           224           225 
      1  -0.206567D+00 -0.163167D+02  0.454493D+01 -0.653526D+01  0.807970D+01
      2   0.170010D+02 -0.157082D+02 -0.738693D+01 -0.118106D+02 -0.143558D+02
      3   0.509341D+01 -0.185636D+02  0.168185D+01 -0.145409D+02  0.948961D+01
               226           227           228           229           230 
      1  -0.728910D+01  0.443090D+01  0.668168D+01  0.100067D+02 -0.177075D+01
      2   0.793074D+01 -0.668173D+01 -0.156948D+02 -0.223297D+02  0.145656D+02
      3  -0.291467D+02  0.880539D+01  0.125960D+02  0.399442D+02  0.124020D+02
               231           232           233           234           235 
      1  -0.187427D+01  0.905953D+01  0.421207D+01  0.618465D+01  0.512713D+01
      2  -0.191314D+02 -0.351931D+02 -0.245411D+02 -0.131057D+02  0.108574D+02
      3  -0.250470D+02  0.112690D+02 -0.214593D+02  0.149587D+02  0.717494D+01
               236           237           238           239           240 
      1  -0.595144D+01 -0.120862D+02 -0.264874D+01  0.848181D+01  0.291882D+00
      2   0.215266D+01  0.111491D+02  0.705274D+00 -0.628815D+01  0.450115D+00
      3  -0.201843D+02 -0.651821D+01 -0.389947D+01 -0.767960D+01  0.136194D+02
               241           242           243           244           245 
      1  -0.113979D+02  0.929466D+01 -0.147528D+02  0.786944D+02  0.311594D+01
      2   0.969055D+01  0.132960D+01  0.127711D+02 -0.744652D+02  0.439970D+01
      3  -0.141530D+02  0.135393D+02  0.147915D+02 -0.326603D+03  0.110288D+02
               246           247           248           249           250 
      1  -0.787725D-02  0.470113D+02 -0.500752D+01 -0.153044D+01 -0.245948D+02
      2  -0.124862D+02 -0.337057D+02 -0.659992D+01 -0.100206D+02 -0.207766D+02
      3   0.649343D+01  0.145591D+03  0.126612D+03 -0.157463D+02 -0.563812D+02
               251           252           253           254           255 
      1   0.131095D+02 -0.150412D+01 -0.176227D+01 -0.314908D+01 -0.387682D+01
      2  -0.175280D+02  0.737437D+01  0.113365D+02  0.250133D+01 -0.465163D+01
      3  -0.181902D+02  0.258563D+02 -0.185468D+02  0.228595D+02 -0.918536D+00
               256           257           258           259           260 
      1   0.926323D+01  0.569703D+01  0.661702D-01  0.237891D+02  0.167630D+02
      2  -0.356680D+02  0.735600D+00 -0.355702D+00 -0.563828D+02  0.197811D+02
      3  -0.771326D+02 -0.514985D+02  0.721940D+01  0.263429D+02 -0.230588D+01
               261           262           263           264           265 
      1  -0.106813D+01 -0.124112D+02  0.632707D+00  0.437769D+01  0.103561D+02
      2   0.457711D+00  0.423216D+01  0.744480D+00  0.605280D+01 -0.612346D+01
      3  -0.189414D+00 -0.798527D+01 -0.195988D+02  0.534124D+01  0.128466D+02
               266           267           268           269           270 
      1  -0.393076D+01 -0.495830D+01  0.949599D+01 -0.486273D+01 -0.138523D+02
      2  -0.286259D+01 -0.416455D+01 -0.237221D+01 -0.690356D+01 -0.140457D+02
      3   0.207419D+02  0.292433D+01 -0.148863D+01  0.184563D+02  0.303327D+00
               271           272           273           274           275 
      1  -0.104075D+03 -0.512449D+01 -0.295402D+01  0.506772D+02  0.216089D+00
      2   0.314604D+03  0.322743D+02  0.193242D+02 -0.391298D+03 -0.218132D+02
      3   0.421565D+02  0.421490D+02 -0.208513D+02 -0.333740D+03  0.609698D+02
               276           277           278           279           280 
      1  -0.119023D+01 -0.594777D+02 -0.138589D+02  0.205599D+01  0.110804D+02
      2  -0.556356D+01  0.236013D+03 -0.229000D+02  0.974434D+00  0.268755D+00
      3   0.167962D+02  0.976236D+02  0.132679D+01 -0.399090D+01 -0.525409D+01
               281           282           283           284           285 
      1   0.322740D+01  0.460639D+01 -0.691451D+01  0.892668D+00 -0.113478D+01
      2  -0.125362D+00  0.661004D+01  0.407148D+01 -0.527810D+00 -0.125859D+01
      3  -0.247764D+02 -0.198443D+01  0.644517D+01  0.835269D+01 -0.420200D+01
               286           287           288           289           290 
      1   0.647811D+01  0.153025D+00  0.115737D+02 -0.160086D+01 -0.359566D+00
      2   0.102561D+02 -0.268253D+01  0.119728D+02  0.760956D+01  0.193242D+01
      3   0.280421D+01 -0.135426D+02 -0.186119D+01  0.436022D+02  0.125736D+02
               291           292           293           294           295 
      1  -0.345564D+01 -0.295761D+01 -0.121678D+01 -0.565432D+01 -0.291206D+01
      2  -0.171749D+00  0.752028D+01  0.364897D+01 -0.136420D+01 -0.301853D+00
      3  -0.365303D+01  0.348056D+02  0.317559D+02 -0.438216D+01 -0.898511D+01
               296           297           298           299           300 
      1  -0.342339D+01  0.293315D+01  0.161251D+01  0.363394D+00 -0.345510D+01
      2  -0.476507D+01  0.281684D+01 -0.764650D+01 -0.194010D+01 -0.173350D+00
      3  -0.372406D+01  0.829202D+01  0.436496D+02  0.125821D+02  0.365268D+01
               301           302           303           304           305 
      1   0.295713D+01  0.122583D+01 -0.565769D+01 -0.291620D+01 -0.342089D+01
      2  -0.757829D+01 -0.365653D+01 -0.136015D+01 -0.316991D+00 -0.476337D+01
      3   0.348357D+02  0.317412D+02  0.437589D+01  0.899139D+01  0.373107D+01
               306           307           308           309           310 
      1  -0.293714D+01 -0.110798D+02 -0.323226D+01  0.460735D+01  0.692972D+01
      2  -0.281592D+01 -0.223152D+00  0.139321D+00  0.660548D+01 -0.412070D+01
      3   0.829028D+01 -0.540621D+01 -0.247569D+02  0.197805D+01  0.654767D+01
               311           312           313           314           315 
      1  -0.881655D+00 -0.113667D+01  0.646751D+01  0.152332D+00 -0.115669D+02
      2   0.515630D+00 -0.126284D+01  0.102281D+02 -0.269176D+01 -0.119599D+02
      3   0.834708D+01  0.420088D+01 -0.267942D+01  0.135206D+02 -0.185020D+01
               316           317           318           319           320 
      1  -0.162589D+00  0.573300D+01 -0.245130D+01  0.234706D+01  0.390189D+01
      2  -0.308169D+01 -0.134654D+01  0.517042D+01  0.610980D+01  0.538040D+01
      3  -0.366202D+01 -0.148270D+02 -0.148766D+01 -0.980420D+01 -0.200395D+02
               321           322           323           324           325 
      1  -0.422073D+01 -0.123096D+01  0.639565D+00  0.529407D+00 -0.179306D+01
      2   0.815717D+01 -0.654592D+01  0.296801D+01  0.311119D+01  0.149196D+02
      3  -0.647994D+01  0.150659D+01 -0.593973D+01 -0.416582D+01 -0.126705D+02
               326           327           328           329           330 
      1   0.199656D-01  0.705187D+01 -0.956685D-01 -0.964374D+00 -0.132072D+01
      2  -0.723796D+01 -0.174957D+02 -0.172447D+01  0.677622D+01  0.530959D+01
      3   0.691626D+01  0.111933D+02  0.335699D+01 -0.637732D+01 -0.731981D+01
               331           332           333           334           335 
      1   0.314515D+01  0.539829D-01 -0.779932D+01  0.260414D+00  0.419679D+01
      2  -0.667542D+01  0.105039D+02  0.234573D+02 -0.537047D+01 -0.245812D+01
      3   0.570749D+01 -0.773655D+01 -0.132996D+02 -0.163047D+01 -0.107520D+02
               336           337           338           339           340 
      1  -0.206310D+01  0.453717D+01  0.171764D+01 -0.208160D+01  0.543614D+00
      2   0.141587D+02 -0.291121D+01 -0.212736D+01  0.421316D+01  0.102291D+02
      3   0.232316D+01 -0.334229D+01 -0.600528D+00 -0.205496D+00  0.491453D+01
               341           342           343           344           345 
      1  -0.253180D+00  0.391730D+00 -0.160777D+01 -0.269410D+01  0.137115D+01
      2   0.295156D+01 -0.295567D+01  0.582377D+01  0.430713D+01 -0.113367D+02
      3   0.197730D+01 -0.196783D+01  0.208661D+01  0.339878D+01 -0.352587D+01
               346           347           348           349           350 
      1  -0.961179D+00 -0.556615D+01  0.312783D+01 -0.175233D+01  0.546959D+01
      2   0.480559D+00  0.104203D+02 -0.165690D+02 -0.218544D+01 -0.120687D+02
      3   0.257401D+01  0.102057D+02 -0.101228D+02 -0.382764D+00 -0.847941D+01
               351           352           353           354           355 
      1  -0.600464D+01 -0.906742D+00 -0.323107D+00  0.185731D+01  0.230381D+01
      2   0.324042D+02 -0.137352D+01  0.221664D+01  0.640920D+01  0.275741D+01
      3   0.134364D+02  0.496295D+01 -0.117000D+02 -0.159061D+01 -0.126782D+02
               356           357           358           359           360 
      1  -0.103643D+01 -0.264368D+01 -0.195467D+01  0.192165D+01 -0.105076D+01
      2  -0.303024D+01 -0.368433D+01  0.641929D+01 -0.317971D+01 -0.306615D+01
      3   0.266584D+02  0.233264D+01 -0.378827D+01  0.290560D+01  0.357049D+01
               361           362           363           364           365 
      1   0.747148D+01  0.358404D+01  0.776108D+00  0.380066D+01  0.346397D+01
      2  -0.231976D+02 -0.772011D+01 -0.802853D+01 -0.806693D+01 -0.669560D+01
      3   0.122184D+02  0.302724D+01 -0.148532D+01  0.507007D+01  0.292368D+01
               366           367           368           369           370 
      1   0.844030D+00  0.120413D+01  0.248891D+01  0.981422D+00  0.244058D+00
      2  -0.263793D+01 -0.504442D+01 -0.662029D+00 -0.307271D+01 -0.416226D+01
      3   0.240096D+01 -0.141422D+01  0.163054D+01  0.118619D+01  0.936485D+00
               371           372           373           374           375 
      1  -0.688802D+00 -0.618246D+00 -0.143858D+01 -0.116564D+02  0.379508D+01
      2   0.141460D+01  0.838710D+00  0.913559D+00 -0.125667D+02  0.208913D+02
      3  -0.116142D+01 -0.123130D+01 -0.920779D+00 -0.159920D+02  0.127139D+02
               376           377           378           379           380 
      1   0.434305D+00  0.743575D+01 -0.406049D+01  0.747422D+01 -0.691429D+01
      2  -0.299609D+00  0.110930D+02 -0.214982D+02 -0.353261D+01  0.137274D+01
      3  -0.114086D+01  0.915163D+01 -0.110192D+02  0.897622D+01 -0.991376D+01
               381           382           383           384           385 
      1  -0.513266D+01 -0.712976D+01  0.107855D+02  0.702779D+01 -0.406304D+01
      2   0.106793D+02 -0.622957D+00 -0.730692D+01 -0.866428D+01  0.228759D+01
      3  -0.776351D+01 -0.649589D+01  0.142445D+02  0.115443D+02 -0.332119D+01
               386           387           388           389           390 
      1   0.640334D+01  0.518478D+01 -0.298786D+01 -0.223398D+01 -0.392135D+01
      2  -0.335609D+01 -0.943907D+01  0.104178D+02  0.831224D+01  0.131080D+02
      3   0.765627D+01  0.651606D+01  0.262110D+01 -0.506520D+01 -0.545989D+01
               391           392           393           394           395 
      1  -0.344499D+01 -0.214860D+01 -0.264691D+01 -0.344470D+01 -0.638493D+00
      2   0.858276D+01  0.669620D+01  0.495979D+01  0.113529D+02  0.536774D+01
      3  -0.540389D+01 -0.599382D+01 -0.445578D+01 -0.524020D+01 -0.767022D+01
               396           397           398           399           400 
      1  -0.100227D+02  0.585190D+01 -0.365730D+01 -0.262404D+01 -0.648518D+01
      2   0.334341D+02 -0.177803D+01  0.351581D+01  0.100885D+02  0.833528D+01
      3  -0.175150D+01  0.214497D+02 -0.150963D+02 -0.780134D+01 -0.225179D+02
               401           402           403           404           405 
      1   0.464965D+01  0.197214D+01 -0.450412D+01  0.264340D+01  0.234022D+01
      2  -0.465429D+01 -0.812782D+01  0.102236D+02 -0.132610D+01 -0.784457D+01
      3   0.174224D+02  0.104230D+02 -0.872952D+01  0.881453D+01  0.563239D+01
               406           407           408           409           410 
      1   0.739707D+00 -0.400316D+00 -0.692638D+00 -0.465977D+00 -0.243945D+01
      2  -0.506915D+01 -0.620654D+00  0.301958D+01 -0.483880D+01 -0.167547D+02
      3  -0.221002D+01 -0.245247D+01 -0.424422D-01 -0.105815D+02 -0.299671D+02
               411           412           413           414           415 
      1  -0.319981D+01 -0.166956D+01  0.109709D+01  0.279960D+01 -0.585517D+01
      2   0.176171D+02  0.854931D+01  0.154378D+02 -0.182668D+02 -0.223831D+01
      3   0.168969D+02  0.419090D+01  0.185526D+02 -0.142842D+02 -0.210422D+02
               416           417           418           419           420 
      1   0.483914D+01  0.760591D+01  0.461504D+01 -0.681762D+01 -0.532866D+01
      2  -0.618631D+00 -0.238617D+01 -0.157643D+01  0.218620D+01  0.538815D+00
      3   0.188422D+02  0.831361D+01  0.207247D+02 -0.186197D+02 -0.745539D+01
               421           422           423           424           425 
      1   0.560831D+01 -0.483130D+01 -0.636172D+01 -0.625242D+00 -0.306559D+00
      2  -0.341857D+01  0.263603D+01  0.241215D+01 -0.248085D-01 -0.127638D+01
      3   0.145828D+02 -0.147205D+02 -0.105280D+02  0.346392D+01 -0.773582D+01
               426           427           428           429           430 
      1  -0.396502D+01 -0.803948D+00 -0.244669D+01 -0.367638D+01 -0.128639D+01
      2   0.412491D+01  0.431711D+01  0.253413D+00  0.315804D+01 -0.146248D+01
      3   0.142875D+01 -0.170242D+00 -0.108664D+02 -0.916672D-01  0.579897D+00
               431           432           433           434           435 
      1  -0.162596D+01  0.157003D+01  0.345033D+01 -0.679907D+00  0.797854D+01
      2   0.227461D+01 -0.190785D+01 -0.487746D+01  0.247113D+01 -0.749986D+01
      3  -0.198585D+01 -0.192126D+01 -0.597326D+01  0.579928D+01 -0.699918D+01
               436           437           438           439           440 
      1  -0.456253D-01  0.245634D+01 -0.142791D+00  0.529824D+01 -0.182665D+01
      2   0.470203D+00 -0.258467D+01  0.851932D+00 -0.964127D+01  0.721032D+01
      3   0.391896D+01 -0.706611D+00  0.226040D+01 -0.104263D+02  0.863587D+01
               441           442           443           444           445 
      1   0.232058D+02 -0.245332D+00  0.656950D+00 -0.612680D+00  0.141517D+01
      2  -0.210989D+02  0.416353D+01 -0.143770D+01  0.785554D+00 -0.941290D+00
      3  -0.146406D+02  0.935187D+00 -0.113115D+01  0.125044D+01 -0.885030D+00
               446           447           448           449           450 
      1   0.116893D+02  0.376436D+01  0.423049D+00  0.742154D+01  0.408227D+01
      2   0.125742D+02  0.209041D+02 -0.332514D+00  0.111035D+02  0.214502D+02
      3  -0.160042D+02 -0.126940D+02  0.117633D+01 -0.913956D+01 -0.110107D+02
               451           452           453           454           455 
      1  -0.749174D+01 -0.360155D+01  0.754485D+00 -0.382041D+01 -0.347046D+01
      2   0.231501D+02  0.768975D+01 -0.799650D+01  0.808072D+01  0.669688D+01
      3   0.123215D+02  0.314382D+01  0.155462D+01  0.513566D+01  0.296164D+01
               456           457           458           459           460 
      1   0.834528D+00  0.117101D+01  0.247135D+01 -0.997224D+00 -0.746359D+01
      2  -0.263537D+01 -0.503850D+01 -0.666244D+00  0.303813D+01  0.354622D+01
      3  -0.237807D+01  0.159504D+01 -0.148250D+01  0.128065D+01  0.895718D+01
               461           462           463           464           465 
      1   0.690153D+01 -0.514471D+01  0.710826D+01 -0.107607D+02  0.703796D+01
      2  -0.138671D+01  0.107005D+02  0.617084D+00  0.732106D+01 -0.867348D+01
      3  -0.988575D+01  0.776621D+01 -0.645250D+01  0.141944D+02 -0.115417D+02
               466           467           468           469           470 
      1  -0.407510D+01  0.641710D+01 -0.520685D+01 -0.731118D+00  0.399253D+00
      2   0.229676D+01 -0.336701D+01  0.948891D+01  0.506651D+01  0.611166D+00
      3   0.332034D+01 -0.766666D+01  0.653678D+01 -0.221456D+01 -0.243733D+01
               471           472           473           474           475 
      1  -0.692466D+00  0.472728D+00  0.245643D+01 -0.318879D+01 -0.166864D+01
      2   0.301911D+01  0.483673D+01  0.167766D+02  0.176361D+02  0.855401D+01
      3   0.478995D-01 -0.105753D+02 -0.299904D+02 -0.169193D+02 -0.416326D+01
               476           477           478           479           480 
      1   0.111463D+01 -0.278390D+01 -0.585472D+01  0.366550D+01 -0.263176D+01
      2   0.154169D+02  0.182465D+02  0.178381D+01 -0.353561D+01  0.100937D+02
      3  -0.185434D+02 -0.142578D+02  0.213853D+02 -0.150842D+02  0.782126D+01
               481           482           483           484           485 
      1   0.650122D+01 -0.466799D+01  0.198972D+01 -0.452525D+01  0.266204D+01
      2  -0.836790D+01  0.468191D+01 -0.815975D+01  0.102621D+02 -0.135511D+01
      3  -0.225116D+02  0.174371D+02 -0.104662D+02  0.877315D+01 -0.884414D+01
               486           487           488           489           490 
      1  -0.235994D+01  0.322759D+01  0.225406D+01 -0.370589D+01  0.341161D+01
      2   0.789706D+01 -0.111561D+02 -0.840376D+01  0.124541D+02 -0.851207D+01
      3   0.568247D+01  0.236157D+01 -0.504717D+01  0.529544D+01 -0.530174D+01
               491           492           493           494           495 
      1   0.216563D+01 -0.263331D+01 -0.322406D+01 -0.592333D+00  0.102462D+02
      2  -0.675771D+01  0.486652D+01  0.106845D+02  0.518096D+01 -0.342083D+02
      3  -0.594883D+01  0.455932D+01  0.503758D+01  0.771089D+01 -0.179316D+01
               496           497           498           499           500 
      1  -0.326147D+00 -0.426477D+01 -0.220482D+01 -0.460310D+01 -0.179119D+01
      2   0.567838D+01  0.272264D+01  0.147116D+02  0.319375D+01  0.240348D+01
      3  -0.169390D+01 -0.108493D+02 -0.254485D+01 -0.345166D+01 -0.690321D+00
               501           502           503           504           505 
      1  -0.223789D+01  0.426836D+00 -0.374803D+00 -0.646469D+00  0.161282D+01
      2   0.479685D+01  0.106738D+02  0.339737D+01  0.395136D+01 -0.582632D+01
      3  -0.185853D-01 -0.509807D+01 -0.215928D+01 -0.232205D+01  0.209498D+01
               506           507           508           509           510 
      1   0.269578D+01  0.137139D+01  0.957302D+00  0.556453D+01  0.312258D+01
      2  -0.431749D+01 -0.113504D+02 -0.470129D+00 -0.104307D+02 -0.165756D+02
      3   0.340639D+01  0.353270D+01  0.257832D+01  0.102231D+02  0.101405D+02
               511           512           513           514           515 
      1  -0.175551D+01  0.546703D+01  0.599171D+01  0.177505D+01 -0.179529D-01
      2  -0.215497D+01 -0.120796D+02 -0.324209D+02 -0.148686D+02  0.723746D+01
      3   0.365862D+00  0.849789D+01  0.134598D+02 -0.126101D+02  0.690546D+01
               516           517           518           519           520 
      1   0.704012D+01  0.856910D-01  0.965840D+00 -0.133352D+01  0.313644D+01
      2  -0.174825D+02  0.175745D+01 -0.678232D+01  0.535191D+01 -0.667164D+01
      3  -0.111672D+02  0.335972D+01 -0.637067D+01  0.733777D+01 -0.568244D+01
               521           522           523           524           525 
      1   0.511352D-01  0.782196D+01  0.624667D-01 -0.573581D+01 -0.252993D+01
      2   0.105252D+02 -0.235411D+02  0.336718D+01  0.133932D+01  0.540888D+01
      3   0.774269D+01 -0.133145D+02 -0.354835D+01 -0.148498D+02  0.159640D+01
               526           527           528           529           530 
      1  -0.233321D+01 -0.390672D+01 -0.420221D+01 -0.129518D+01  0.634826D+00
      2  -0.616470D+01 -0.536074D+01  0.810828D+01 -0.633524D+01  0.297218D+01
      3  -0.983275D+01 -0.200099D+02  0.644059D+01 -0.136400D+01  0.591419D+01
               531           532           533           534           535 
      1  -0.597738D+00  0.910515D+00  0.338172D+00  0.185648D+01 -0.229150D+01
      2  -0.291273D+01  0.137419D+01 -0.223264D+01  0.640387D+01 -0.276448D+01
      3  -0.407859D+01  0.492536D+01 -0.119025D+02  0.159733D+01 -0.127499D+02
               536           537           538           539           540 
      1   0.106451D+01 -0.264896D+01 -0.195162D+01  0.191355D+01  0.105276D+01
      2   0.303451D+01 -0.369379D+01  0.642662D+01 -0.318832D+01  0.308878D+01
      3   0.262680D+02 -0.235662D+01  0.380779D+01 -0.287152D+01  0.358283D+01
               541           542           543           544           545 
      1   0.597249D+00  0.295582D+00 -0.396640D+01  0.797643D+00  0.242218D+01
      2   0.354545D-01  0.129113D+01  0.412592D+01 -0.429786D+01 -0.248743D+00
      3   0.351431D+01 -0.775909D+01 -0.141603D+01 -0.214654D+00 -0.108227D+02
               546           547           548           549           550 
      1  -0.367486D+01 -0.128835D+01 -0.162681D+01 -0.157544D+01  0.584685D+01
      2   0.315940D+01 -0.145837D+01  0.227940D+01  0.191202D+01  0.220952D+01
      3   0.930377D-01 -0.568306D+00  0.197371D+01 -0.192348D+01 -0.209593D+02
               551           552           553           554           555 
      1  -0.484365D+01  0.761486D+01 -0.460756D+01  0.683322D+01 -0.534722D+01
      2   0.638853D+00 -0.240156D+01  0.158718D+01 -0.221207D+01  0.554583D+00
      3   0.188246D+02 -0.832875D+01  0.206935D+02 -0.186384D+02  0.747749D+01
               556           557           558           559           560 
      1   0.561253D+01 -0.485102D+01  0.639281D+01 -0.346073D+01  0.680927D+00
      2  -0.343662D+01  0.265951D+01 -0.243911D+01  0.489510D+01 -0.248091D+01
      3  -0.145801D+02  0.147570D+02 -0.105584D+02 -0.599245D+01  0.582784D+01
               561           562           563           564           565 
      1   0.799644D+01  0.479587D-01 -0.245390D+01 -0.148856D+00  0.531338D+01
      2  -0.751263D+01 -0.485575D+00  0.259510D+01  0.860053D+00 -0.964718D+01
      3   0.702110D+01  0.392895D+01 -0.734801D+00 -0.227481D+01  0.104407D+02
               566           567 
      1  -0.182758D+01 -0.231878D+02
      2   0.720259D+01  0.210717D+02
      3  -0.863950D+01 -0.146452D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103332D+03 -0.139762D+02  0.277938D+02 -0.121673D+02  0.285572D+02
      2   0.613128D+02  0.166906D+02 -0.881737D+01  0.696135D+01 -0.181002D+02
      3   0.420191D+02 -0.271444D+01 -0.189765D+02  0.520593D+01 -0.104570D+02
      4  -0.994010D+01  0.125981D+02  0.510991D+01  0.214155D+02 -0.113361D+02
      5   0.396389D+02  0.667918D+01  0.121804D+02  0.118451D+00 -0.294206D+01
      6  -0.233585D+00 -0.507501D+01 -0.211636D+01 -0.456685D+01  0.308223D+01
                 6             7             8             9            10 
      1   0.101565D+02 -0.341752D+01  0.495712D+01  0.232997D+02 -0.843992D+01
      2   0.468902D+01  0.958168D+01  0.686826D+01 -0.840168D+01  0.836335D+01
      3  -0.148456D+02 -0.616416D+01 -0.118254D+02 -0.148980D+02  0.765786D-01
      4   0.227245D+01 -0.620799D+01 -0.539337D+01  0.305408D+02  0.108082D+02
      5   0.316540D+02  0.253721D+02  0.319164D+02 -0.676459D+01 -0.120058D+01
      6  -0.648096D-01  0.342788D+01  0.305722D+01 -0.118211D+02  0.248581D+01
                11            12            13            14            15 
      1   0.833533D+01 -0.596695D+01  0.158316D+02 -0.401758D+02  0.106501D+02
      2  -0.101160D+01  0.283105D+01 -0.240707D+01  0.230688D+02 -0.855177D+01
      3  -0.732373D+01  0.313590D+01 -0.134245D+02  0.171070D+02 -0.209835D+01
      4  -0.296273D+02  0.777186D+01 -0.498478D+02  0.426437D+01 -0.211728D+02
      5   0.121763D+02 -0.196777D+02  0.153681D+02 -0.190063D+02 -0.431549D+02
      6   0.276200D+01 -0.204344D+01 -0.161973D+01 -0.108974D+01 -0.755369D+01
                16            17            18            19            20 
      1   0.416011D+01  0.980137D+01 -0.312466D+02  0.835021D+02  0.537607D+02
      2  -0.818975D+01 -0.898714D+01  0.219756D+02 -0.528614D+02 -0.421946D+02
      3   0.402964D+01 -0.814227D+00  0.927108D+01 -0.306407D+02 -0.115661D+02
      4   0.761641D+01 -0.102142D+02 -0.295689D+02  0.429397D+02  0.773095D+02
      5  -0.497153D+02 -0.332047D+02  0.673673D+01 -0.534574D+01  0.252822D+01
      6  -0.652079D+01 -0.629798D+01  0.998894D+00  0.216628D+01 -0.564597D+01
                21            22            23            24            25 
      1   0.223586D+01  0.205966D+02  0.282768D+02 -0.239099D+01 -0.591829D+01
      2  -0.145666D+01 -0.863376D+01 -0.880927D+01  0.256275D+01  0.337588D+01
      3  -0.779196D+00 -0.119629D+02 -0.194675D+02 -0.171759D+00  0.254241D+01
      4   0.702088D+01  0.343265D+02  0.813664D+02  0.123577D+02  0.538394D+00
      5   0.139566D+02  0.692147D+00  0.995973D+01  0.160148D+02  0.288986D+02
      6  -0.481359D+00  0.434897D+01 -0.180399D+01  0.772806D+01 -0.175657D+01
                26            27            28            29            30 
      1   0.449930D+00  0.168584D+02 -0.266097D+02  0.196267D+02  0.631325D+00
      2  -0.390333D+00 -0.177400D+02  0.568332D+01 -0.195005D+02 -0.226803D+01
      3  -0.595968D-01  0.881639D+00  0.209263D+02 -0.126249D+00  0.163671D+01
      4   0.113124D+02  0.110912D+02 -0.845119D+01  0.319799D+02 -0.108207D+00
      5   0.155880D+02  0.613550D+01 -0.284620D+01 -0.389092D+01 -0.144369D+02
      6   0.723320D+01  0.122849D+01 -0.181297D+02 -0.797867D+01 -0.883997D+00
                31            32            33            34            35 
      1   0.454746D+02  0.469233D+02  0.288698D+00  0.859539D+01 -0.338734D+01
      2  -0.452473D+02 -0.474302D+02  0.116337D+01 -0.108485D+02 -0.248964D+01
      3  -0.227327D+00  0.506851D+00 -0.145207D+01  0.225312D+01  0.587698D+01
      4   0.197415D+02  0.278752D+02  0.177641D+01 -0.132389D+02  0.146783D+01
      5  -0.123879D+02 -0.200308D+01  0.199290D+01  0.155698D+02  0.169165D+02
      6  -0.717423D+01 -0.912794D+01 -0.631113D+01  0.469397D+01  0.312036D+01
                36            37            38            39            40 
      1   0.374071D+01 -0.311035D+02  0.973520D+01 -0.125144D+02  0.620113D+02
      2  -0.116572D+02  0.419799D+02  0.380401D+01  0.122142D+02 -0.277747D+02
      3   0.791646D+01 -0.108763D+02 -0.135392D+02  0.300205D+00 -0.342367D+02
      4   0.150550D+02  0.216047D+02  0.136775D+02  0.134957D+02  0.374306D+02
      5   0.508595D+01 -0.428373D+01  0.216123D+02 -0.275595D+02  0.275938D+02
      6  -0.413177D+01  0.109910D+02  0.792790D+01 -0.708871D+01  0.591541D+01
                41            42            43            44            45 
      1   0.119661D+02  0.273457D+02 -0.129731D+02  0.308056D+02 -0.424397D+02
      2  -0.211242D+01 -0.226365D+02  0.121415D+02 -0.264679D+02  0.306738D+02
      3  -0.985370D+01 -0.470923D+01  0.831620D+00 -0.433768D+01  0.117659D+02
      4   0.144316D+01 -0.117178D+02  0.388413D+02  0.502511D+01 -0.204521D+02
      5  -0.142651D+02  0.174231D+02 -0.485496D+02 -0.162295D+02  0.209211D+02
      6  -0.587152D+01  0.385932D+01 -0.191179D+02 -0.616755D+01  0.148540D+02
                46            47            48            49            50 
      1   0.715713D+01 -0.202381D+02  0.217639D+02 -0.270072D+02 -0.392413D+02
      2  -0.142743D+02 -0.701435D+01 -0.258423D+01  0.109641D+01  0.176994D+02
      3   0.711719D+01  0.272524D+02 -0.191797D+02  0.259108D+02  0.215420D+02
      4  -0.368922D+02 -0.485389D+02  0.482615D+01 -0.619802D+02 -0.175296D+02
      5   0.127407D+02  0.457144D+01  0.182408D+02  0.962285D+01  0.260539D+02
      6   0.139735D+02  0.895248D+01  0.152148D+02  0.154490D+02  0.104077D+02
                51            52            53            54            55 
      1  -0.418851D+01  0.185285D+00 -0.206174D+02  0.393882D+02 -0.287614D+02
      2   0.395621D+01  0.808831D+01  0.132390D+02 -0.265749D+02 -0.382600D+01
      3   0.232304D+00 -0.827360D+01  0.737846D+01 -0.128133D+02  0.325874D+02
      4   0.199063D+02 -0.208459D+02 -0.585529D+01  0.995490D+01 -0.538347D+02
      5  -0.602641D+01  0.376703D+02  0.543481D+01 -0.285874D+02  0.106819D+02
      6  -0.786961D+01  0.204532D+02 -0.331350D+01 -0.676739D+01 -0.738251D+01
                56            57            58            59            60 
      1  -0.612012D+02  0.991537D+01 -0.882283D+02  0.840601D+01 -0.286135D+02
      2   0.374653D+02 -0.176923D+02  0.515114D+02 -0.134165D+02  0.151551D+02
      3   0.237359D+02  0.777697D+01  0.367169D+02  0.501052D+01  0.134584D+02
      4  -0.819850D+01 -0.145095D+02  0.323308D+01  0.113516D+02  0.271105D+02
      5  -0.231547D+02  0.411631D+02 -0.274204D+02  0.305196D+02  0.237813D+02
      6  -0.146700D+01  0.369487D+01  0.163838D+01  0.308853D+01  0.124567D+02
                61            62            63            64            65 
      1   0.288469D+02 -0.227484D+02  0.501551D+02  0.374303D+02  0.298396D+01
      2  -0.258898D+02  0.149213D+02 -0.202940D+02 -0.210587D+02  0.482236D+00
      3  -0.295702D+01  0.782705D+01 -0.298611D+02 -0.163716D+02 -0.346620D+01
      4  -0.545345D+01  0.275057D+02  0.328470D+02  0.177986D+02 -0.330330D+02
      5   0.526143D+02  0.241419D+02 -0.429700D+01  0.145537D+02 -0.388270D+01
      6   0.863172D+01  0.953762D+01  0.409172D+01  0.250792D+02  0.511014D+01
                66            67            68            69            70 
      1   0.441022D+01  0.644538D+00 -0.157056D+02 -0.112001D+01  0.421815D+01
      2  -0.248333D+01 -0.262700D+01  0.185285D+02  0.189661D+00 -0.374901D+01
      3  -0.192689D+01  0.198246D+01 -0.282290D+01  0.930347D+00 -0.469146D+00
      4  -0.448448D+01  0.271869D+02  0.228661D+02  0.257898D+01  0.137056D+01
      5   0.167579D+02  0.978026D+01  0.382136D+01  0.450326D+01 -0.496080D+01
      6  -0.205898D+00  0.623202D+01  0.162321D+01  0.584396D+01  0.194783D+01
                71            72            73            74            75 
      1   0.243819D+00 -0.301388D+01 -0.788246D+02  0.645966D+00 -0.901787D-02
      2  -0.154838D+00  0.131127D+01  0.306701D+02 -0.483215D+01 -0.946848D-03
      3  -0.889811D-01  0.170261D+01  0.481545D+02  0.418619D+01  0.996472D-02
      4  -0.102999D+01  0.370268D+01 -0.789509D+01 -0.303088D+02  0.355217D-02
      5   0.164657D+01  0.119998D+01  0.273815D-01  0.351002D-02 -0.248942D+02
      6   0.647465D+01  0.118982D+01  0.194634D-01  0.978800D-02 -0.470275D+01
                76            77            78            79            80 
      1  -0.890599D+01 -0.139621D+02  0.421679D-02  0.310792D-01  0.897714D-02
      2   0.130496D+02  0.908781D+01 -0.396293D-02 -0.227400D-01 -0.715866D-02
      3  -0.414364D+01  0.487431D+01 -0.253861D-03 -0.833923D-02 -0.181848D-02
      4  -0.613134D+02  0.102612D+02  0.858008D-02  0.424283D-01  0.330465D-01
      5   0.368371D-01  0.119309D-01  0.260838D+01  0.350407D+02  0.189694D+01
      6  -0.328146D-01 -0.313545D-02  0.181312D+01  0.145320D+02  0.782078D+01
                81            82            83            84            85 
      1  -0.265998D+02 -0.160263D+02 -0.658302D+02 -0.126732D+02  0.114738D+02
      2  -0.219177D+01  0.248074D+02  0.592863D+02  0.836085D+01 -0.847876D+01
      3   0.287916D+02 -0.878108D+01  0.654392D+01  0.431234D+01 -0.299499D+01
      4  -0.555131D+00 -0.459912D+02 -0.850765D+01 -0.342345D+01  0.350723D+02
      5   0.152558D-01  0.436651D+01 -0.169551D+01  0.229678D+02 -0.787771D+01
      6   0.202191D-02  0.303490D+02  0.341259D+01  0.117248D+02 -0.168312D+02
                86            87            88            89            90 
      1  -0.856332D+01 -0.112784D+01 -0.271090D+01  0.840950D+00 -0.763796D+01
      2   0.115682D+02  0.111398D-02  0.899260D+00 -0.261493D+01  0.419100D+01
      3  -0.300493D+01  0.112672D+01  0.181164D+01  0.177398D+01  0.344697D+01
      4   0.215033D+01  0.100964D+00  0.384525D+01  0.301353D+01 -0.157151D+01
      5  -0.854449D+00 -0.172500D+01 -0.619178D+01  0.219233D+01  0.172826D+00
      6   0.297401D+01  0.407211D+01 -0.450409D+01  0.827598D+01  0.210006D+01
                91            92            93            94            95 
      1  -0.181059D+02  0.232974D+02  0.590865D+01 -0.932751D+02 -0.949468D+02
      2  -0.351699D+01 -0.232009D+02 -0.342878D+01  0.829356D+02  0.701428D+02
      3   0.216229D+02 -0.964889D-01 -0.247987D+01  0.103395D+02  0.248040D+02
      4   0.324204D+02 -0.335397D+02 -0.134679D+01 -0.104042D+03 -0.149358D+03
      5  -0.775037D+00 -0.170008D+01 -0.252088D+02 -0.126694D+02 -0.136423D+02
      6  -0.200263D+02 -0.857540D-01 -0.848828D+01  0.636327D+01  0.395195D+01
                96            97            98            99           100 
      1  -0.980219D+01 -0.209348D+02 -0.138651D+02 -0.258640D+02 -0.214798D+02
      2   0.793009D+01  0.157564D+02  0.715626D+01  0.128496D+02  0.223181D+02
      3   0.187210D+01  0.517835D+01  0.670889D+01  0.130144D+02 -0.838322D+00
      4  -0.182271D+02 -0.154142D+02 -0.187380D+02 -0.276939D+02 -0.279281D+02
      5  -0.225339D+02 -0.721142D+01 -0.253840D+02 -0.107530D+02 -0.186299D+00
      6  -0.891279D+00  0.180581D+01  0.133191D+02  0.258034D+01  0.136622D+01
               101           102           103           104           105 
      1  -0.200589D+02  0.183908D+00  0.247327D+02  0.486536D+02  0.101509D+02
      2   0.133903D+02 -0.287410D+01 -0.448456D+02 -0.413002D+02 -0.604250D+01
      3   0.666864D+01  0.269019D+01  0.201130D+02 -0.735335D+01 -0.410837D+01
      4  -0.316533D+02 -0.440896D+01  0.624092D+02  0.181777D+02  0.980007D+00
      5  -0.186587D+01 -0.151078D+02  0.108151D+02  0.926598D+00 -0.362620D+01
      6  -0.308355D+01  0.101067D+02 -0.129207D+02  0.619208D+00 -0.818012D+01
               106           107           108           109           110 
      1   0.122900D+02  0.220938D+01 -0.426366D+01  0.226740D+02  0.102987D+02
      2  -0.138157D+02  0.286447D+01 -0.120399D+01 -0.122894D+02 -0.174227D+02
      3   0.152570D+01 -0.507385D+01  0.546766D+01 -0.103846D+02  0.712395D+01
      4   0.723034D+01 -0.110073D+02  0.151858D+02 -0.109109D+02  0.369656D+02
      5  -0.103100D+02  0.101401D+02 -0.123700D+01  0.145235D+02 -0.308884D+01
      6   0.113477D+02 -0.143910D+02  0.284258D-02 -0.117376D+02  0.285882D+01
               111           112           113           114           115 
      1   0.111716D+02 -0.417271D+01 -0.192529D+02  0.281818D+01  0.111114D+02
      2  -0.567666D+01  0.606605D+00  0.308773D+02 -0.778850D+01 -0.869818D+01
      3  -0.549498D+01  0.356610D+01 -0.116244D+02  0.497032D+01 -0.241320D+01
      4  -0.851331D+01  0.744979D+01 -0.385647D+02  0.100937D+02 -0.848516D+01
      5   0.117401D+02 -0.545945D+01  0.908506D+01 -0.539577D+01  0.166343D+02
      6  -0.841766D+01  0.476171D+01 -0.117526D+02  0.108440D+02 -0.136548D+02
               116           117           118           119           120 
      1   0.165813D+02  0.298066D+00  0.696888D+01 -0.300880D+02  0.661371D+01
      2  -0.213313D+02  0.110940D+01 -0.318259D+02  0.459848D+01 -0.203557D+02
      3   0.475002D+01 -0.140746D+01  0.248570D+02  0.254896D+02  0.137420D+02
      4   0.330470D+02 -0.180157D+02 -0.425386D+02 -0.425244D+02 -0.811041D+01
      5  -0.135474D+02  0.290102D+02  0.276524D+00 -0.157132D+02  0.209381D+02
      6   0.185678D+02 -0.277740D+02 -0.366839D+00 -0.147309D+02  0.175577D+02
               121           122           123           124           125 
      1  -0.240780D+02 -0.219333D+02 -0.225280D+02  0.769539D+01 -0.214161D+02
      2   0.556862D+01  0.959096D+01  0.226369D+02 -0.176238D+02  0.274558D+02
      3   0.185094D+02  0.123424D+02 -0.108837D+00  0.992838D+01 -0.603972D+01
      4  -0.373449D+02 -0.102149D+02  0.274602D+01 -0.819550D+01  0.339019D+01
      5  -0.159470D+02  0.867413D+01 -0.406650D+01  0.202391D+02 -0.250899D+01
      6  -0.114538D+02  0.151579D+02 -0.323547D+00  0.177941D+02 -0.336917D+01
               126           127           128           129           130 
      1   0.319212D+02  0.203457D+02  0.626300D+02 -0.718804D+01  0.957949D+02
      2  -0.994191D+01  0.181678D+01 -0.379166D+02  0.126621D+02 -0.595151D+02
      3  -0.219792D+02 -0.221625D+02 -0.247134D+02 -0.547408D+01 -0.362797D+02
      4   0.127111D+02  0.636898D+02  0.677742D+00  0.221655D+02 -0.223451D+02
      5  -0.173396D+02 -0.578971D+01  0.274673D+02 -0.314778D+02  0.328740D+02
      6  -0.224514D+02  0.100841D+02  0.115524D+01 -0.265933D+01 -0.629596D+01
               131           132           133           134           135 
      1  -0.155242D+02  0.403918D+02 -0.119876D+02  0.310456D+02 -0.409389D+02
      2   0.942062D+01 -0.245974D+02  0.146574D+02 -0.187044D+02  0.941652D+01
      3   0.610359D+01 -0.157944D+02 -0.266982D+01 -0.123412D+02  0.315224D+02
      4  -0.222711D+02 -0.341099D+02  0.154882D+02 -0.323897D+02 -0.415747D+02
      5  -0.383009D+02 -0.270833D+02 -0.456231D+02 -0.327947D+02  0.104978D+02
      6  -0.130448D+02 -0.182819D+02 -0.912105D+01 -0.175420D+02 -0.315568D+01
               136           137           138           139           140 
      1   0.352697D+02  0.347633D+02 -0.614273D+01  0.448345D+02  0.104590D+00
      2  -0.875268D+01 -0.248506D+02  0.127444D+02 -0.302080D+02  0.135936D+02
      3  -0.265170D+02 -0.991262D+01 -0.660168D+01 -0.146265D+02 -0.136981D+02
      4   0.397143D+02 -0.457508D+01  0.180286D+02 -0.148058D+02 -0.736933D+01
      5   0.741923D+00  0.307320D+02 -0.291757D+02  0.327305D+02 -0.399739D+02
      6   0.162678D+02 -0.497937D+01  0.557870D+01 -0.119425D+02 -0.909829D+01
               141           142           143           144           145 
      1   0.314552D+02 -0.530135D+01  0.242046D+02 -0.283339D+02  0.374441D+02
      2  -0.111703D+02  0.145354D+02 -0.552870D+01  0.475868D+01 -0.210733D+02
      3  -0.202849D+02 -0.923405D+01 -0.186759D+02  0.235752D+02 -0.163708D+02
      4  -0.360338D+02  0.113974D+02 -0.244373D+02 -0.206119D+02  0.178288D+02
      5  -0.102509D+02 -0.308891D+02 -0.138799D+02  0.104160D+01 -0.145791D+02
      6  -0.289320D+02  0.165094D+01 -0.198558D+02 -0.103755D+02 -0.251028D+02
               146           147           148           149           150 
      1   0.299764D+01 -0.444877D+01  0.606704D+00 -0.156968D+02  0.113648D+01
      2   0.476968D+00  0.248820D+01 -0.262343D+01  0.185084D+02 -0.194478D+00
      3  -0.347461D+01  0.196057D+01  0.201672D+01 -0.281152D+01 -0.942006D+00
      4  -0.330228D+02  0.448659D+01  0.271800D+02  0.228199D+02 -0.258998D+01
      5   0.387057D+01  0.167628D+02 -0.977188D+01 -0.382803D+01  0.450320D+01
      6  -0.508379D+01 -0.197428D+00 -0.618877D+01 -0.165328D+01  0.584457D+01
               151           152           153           154           155 
      1  -0.419568D+01 -0.221192D+00 -0.301836D+01 -0.267246D+02  0.195311D+02
      2   0.373241D+01  0.149229D+00  0.130599D+01  0.576291D+01 -0.194406D+02
      3   0.463268D+00  0.719623D-01  0.171237D+01  0.209616D+02 -0.905080D-01
      4  -0.137504D+01  0.983951D+00  0.370080D+01 -0.855124D+01  0.319295D+02
      5  -0.495195D+01  0.164490D+01 -0.120583D+01  0.286722D+01  0.393189D+01
      6   0.195396D+01  0.646198D+01 -0.121108D+01  0.180874D+02  0.795460D+01
               156           157           158           159           160 
      1  -0.584434D+00  0.454203D+02  0.469695D+02 -0.285842D+00 -0.858678D+01
      2   0.224867D+01 -0.452180D+02 -0.474778D+02 -0.116535D+01  0.108254D+02
      3  -0.166424D+01 -0.202334D+00  0.508278D+00  0.145120D+01 -0.223867D+01
      4   0.133211D+00  0.197931D+02  0.279915D+02 -0.176038D+01  0.133350D+02
      5  -0.144637D+02  0.123661D+02  0.198878D+01  0.202215D+01  0.155122D+02
      6  -0.885179D+00  0.718759D+01  0.913835D+01 -0.630189D+01  0.472298D+01
               161           162           163           164           165 
      1   0.344549D+01  0.369093D+01 -0.311298D+02  0.975336D+01  0.125544D+02
      2   0.245583D+01 -0.116104D+02  0.419831D+02  0.380656D+01 -0.122310D+02
      3  -0.590132D+01  0.791944D+01 -0.108533D+02 -0.135599D+02 -0.323385D+00
      4  -0.141816D+01  0.150370D+02  0.216114D+02  0.136887D+02 -0.134645D+02
      5   0.168986D+02 -0.507745D+01  0.435914D+01 -0.215790D+02 -0.274697D+02
      6   0.312580D+01  0.413411D+01 -0.109758D+02 -0.791890D+01 -0.705036D+01
               166           167           168           169           170 
      1   0.620056D+02  0.119435D+02 -0.273344D+02  0.130615D+02 -0.307912D+02
      2  -0.277388D+02 -0.208206D+01  0.226143D+02 -0.121645D+02  0.264599D+02
      3  -0.342668D+02 -0.986141D+01  0.472010D+01 -0.897006D+00  0.433128D+01
      4   0.374142D+02  0.143558D+01  0.116962D+02 -0.388667D+02 -0.508323D+01
      5  -0.275700D+02  0.142449D+02  0.173160D+02 -0.484429D+02 -0.163011D+02
      6  -0.592124D+01  0.587409D+01  0.382923D+01 -0.191167D+02 -0.621758D+01
               171           172           173           174           175 
      1  -0.423229D+02 -0.286544D+02 -0.613103D+02 -0.100564D+02 -0.883385D+02
      2   0.305751D+02 -0.392406D+01  0.375067D+02  0.177113D+02  0.515204D+02
      3   0.117478D+02  0.325785D+02  0.238037D+02 -0.765486D+01  0.368182D+02
      4  -0.205147D+02 -0.539118D+02 -0.826297D+01  0.144139D+02  0.319813D+01
      5  -0.210452D+02 -0.108415D+02  0.230619D+02  0.411037D+02  0.272670D+02
      6  -0.149162D+02  0.737169D+01  0.143912D+01  0.369352D+01 -0.166144D+01
               176           177           178           179           180 
      1   0.839783D+01  0.284840D+02 -0.290689D+02  0.226511D+02  0.500492D+02
      2  -0.133978D+02 -0.150378D+02  0.259609D+02 -0.148373D+02 -0.201967D+02
      3   0.499997D+01 -0.134462D+02  0.310799D+01 -0.781379D+01 -0.298526D+02
      4   0.113423D+02 -0.270768D+02  0.533159D+01 -0.274791D+02  0.329326D+02
      5  -0.304841D+02  0.239624D+02  0.525461D+02  0.242571D+02  0.446233D+01
      6  -0.308073D+01  0.124724D+02  0.863450D+01  0.954776D+01 -0.406987D+01
               181           182           183           184           185 
      1  -0.847211D+01  0.847939D+01  0.604034D+01  0.159936D+02 -0.401495D+02
      2   0.836342D+01 -0.112047D+01 -0.287664D+01 -0.250233D+01  0.230277D+02
      3   0.108697D+00 -0.735892D+01 -0.316371D+01 -0.134913D+02  0.171218D+02
      4   0.109163D+02 -0.295488D+02 -0.773160D+01 -0.498485D+02  0.428141D+01
      5   0.129641D+01 -0.121307D+02 -0.196235D+02 -0.152861D+02  0.189171D+02
      6  -0.247156D+01 -0.277104D+01 -0.203938D+01  0.160029D+01  0.108883D+01
               186           187           188           189           190 
      1  -0.105645D+02 -0.404653D+01 -0.978555D+01 -0.311698D+02  0.833642D+02
      2   0.852002D+01  0.814249D+01  0.901588D+01  0.219467D+02 -0.527745D+02
      3   0.204447D+01 -0.409596D+01  0.769676D+00  0.922307D+01 -0.305897D+02
      4   0.210947D+02 -0.759843D+01  0.101012D+02 -0.295927D+02  0.428584D+02
      5  -0.432040D+02 -0.496515D+02 -0.332375D+02 -0.684547D+01  0.538350D+01
      6  -0.756260D+01 -0.652657D+01 -0.629908D+01 -0.102539D+01 -0.216037D+01
               191           192           193           194           195 
      1   0.536829D+02 -0.220394D+01  0.205357D+02  0.282260D+02  0.242947D+01
      2  -0.421594D+02  0.143768D+01 -0.859897D+01 -0.878175D+01 -0.259196D+01
      3  -0.115235D+02  0.766260D+00 -0.119367D+02 -0.194443D+02  0.162488D+00
      4   0.772957D+02 -0.697913D+01  0.342482D+02  0.813347D+02 -0.123265D+02
      5  -0.248865D+01  0.139272D+02 -0.615815D+00 -0.988632D+01  0.159904D+02
      6   0.563938D+01 -0.481113D+00 -0.438583D+01  0.178224D+01  0.773685D+01
               196           197           198           199           200 
      1   0.605512D+01 -0.274604D+00  0.167859D+02 -0.103108D+03 -0.139903D+02
      2  -0.350155D+01  0.233190D+00 -0.176733D+02  0.612763D+02  0.167589D+02
      3  -0.255358D+01  0.414140D-01  0.887401D+00  0.418321D+02 -0.276855D+01
      4  -0.356405D+00 -0.111215D+02  0.110198D+02 -0.997455D+01  0.126455D+02
      5   0.288087D+02  0.154987D+02 -0.606661D+01 -0.399938D+02 -0.691033D+01
      6  -0.174658D+01  0.724443D+01 -0.122319D+01  0.171429D+00  0.505322D+01
               201           202           203           204           205 
      1  -0.281392D+02 -0.121227D+02  0.286437D+02 -0.105072D+02  0.299947D+01
      2   0.896105D+01  0.700176D+01 -0.181331D+02 -0.456426D+01 -0.939975D+01
      3   0.191781D+02  0.512098D+01 -0.105106D+02  0.150715D+02  0.640027D+01
      4  -0.535681D+01  0.215203D+02 -0.111874D+02 -0.245426D+01  0.598590D+01
      5   0.123858D+02 -0.437160D+00  0.281160D+01  0.320222D+02  0.255477D+02
      6  -0.208389D+01  0.453559D+01 -0.310003D+01  0.202485D-01  0.345838D+01
               206           207           208           209           210 
      1  -0.519251D+01  0.235404D+02  0.682230D+01 -0.201951D+02 -0.214648D+02
      2  -0.678179D+01 -0.845613D+01 -0.140778D+02 -0.704305D+01  0.246663D+01
      3   0.119743D+02 -0.150842D+02  0.725549D+01  0.272382D+02  0.189982D+02
      4   0.528301D+01  0.308464D+02 -0.369588D+02 -0.485664D+02 -0.477838D+01
      5   0.321567D+02  0.623589D+01 -0.125259D+02 -0.457151D+01  0.179453D+02
      6   0.311653D+01  0.117404D+02 -0.139258D+02 -0.896903D+01  0.151083D+02
               211           212           213           214           215 
      1  -0.267850D+02 -0.392166D+02  0.407627D+01  0.838274D-01  0.205670D+02
      2   0.957795D+00  0.176713D+02 -0.393482D+01 -0.821363D+01 -0.132608D+02
      3   0.258272D+02  0.215453D+02 -0.141448D+00  0.812980D+01 -0.730624D+01
      4  -0.619797D+02 -0.176018D+02 -0.199919D+02  0.208600D+02  0.579544D+01
      5  -0.970404D+01 -0.261146D+02 -0.587352D+01  0.373164D+02  0.547718D+01
      6  -0.155035D+02 -0.104650D+02 -0.783570D+01  0.203404D+02 -0.329925D+01
               216           217           218           219           220 
      1   0.389262D+02  0.353105D+02  0.348559D+02  0.627718D+01  0.449131D+02
      2  -0.263739D+02 -0.873270D+01 -0.248358D+02 -0.127494D+02 -0.301748D+02
      3  -0.125523D+02 -0.265778D+02 -0.100201D+02  0.647221D+01 -0.147382D+02
      4   0.992316D+01  0.397359D+02 -0.470355D+01 -0.178943D+02 -0.149770D+02
      5   0.288655D+02 -0.659850D+00 -0.306210D+02 -0.291395D+02 -0.325909D+02
      6   0.693067D+01 -0.162469D+02  0.505724D+01  0.550400D+01  0.120457D+02
               221           222           223           224           225 
      1  -0.103711D+00 -0.313658D+02  0.550619D+01 -0.240705D+02 -0.282920D+02
      2   0.137172D+02  0.110407D+02 -0.146041D+02  0.537984D+01  0.473424D+01
      3  -0.136135D+02  0.203250D+02  0.909787D+01  0.186906D+02  0.235578D+02
      4  -0.729219D+01  0.360821D+02 -0.112166D+02  0.244925D+02 -0.207738D+02
      5   0.400696D+02 -0.104802D+02 -0.309178D+02 -0.141037D+02 -0.108922D+01
      6   0.904011D+01 -0.289331D+02  0.157943D+01 -0.198562D+02  0.104492D+02
               226           227           228           229           230 
      1   0.199323D+02  0.628070D+02  0.749537D+01  0.961037D+02 -0.154528D+02
      2   0.209350D+01 -0.379646D+02 -0.127943D+02 -0.596213D+02  0.936770D+01
      3  -0.220259D+02 -0.248424D+02  0.529889D+01 -0.364824D+02  0.608508D+01
      4   0.637949D+02  0.778099D+00 -0.220895D+02 -0.222046D+02 -0.222156D+02
      5   0.605545D+01 -0.274408D+02 -0.313461D+02 -0.328666D+02  0.381050D+02
      6  -0.998895D+01 -0.115438D+01 -0.269624D+01  0.625980D+01  0.130199D+02
               231           232           233           234           235 
      1  -0.404143D+02  0.122886D+02 -0.309955D+02 -0.408039D+02  0.709297D+01
      2   0.245517D+02 -0.147736D+02  0.186467D+02  0.933926D+01 -0.319337D+02
      3   0.158626D+02  0.248492D+01  0.123487D+02  0.314647D+02  0.248407D+02
      4   0.338926D+02 -0.153790D+02  0.322642D+02 -0.415672D+02 -0.424508D+02
      5  -0.270194D+02 -0.455141D+02 -0.328030D+02 -0.107936D+02 -0.358435D+00
      6  -0.182394D+02 -0.918282D+01 -0.175367D+02  0.314660D+01  0.311600D+00
               236           237           238           239           240 
      1  -0.300380D+02 -0.668007D+01 -0.240759D+02 -0.219220D+02  0.225209D+02
      2   0.453914D+01  0.203682D+02  0.554729D+01  0.953157D+01 -0.225967D+02
      3   0.254988D+02 -0.136881D+02  0.185286D+02  0.123904D+02  0.757829D-01
      4  -0.425680D+02  0.802920D+01 -0.373757D+02 -0.102754D+02 -0.274020D+01
      5   0.156915D+02  0.208889D+02  0.159497D+02 -0.865883D+01 -0.398976D+01
      6   0.147127D+02  0.174883D+02  0.114446D+02 -0.151426D+02 -0.244960D+00
               241           242           243           244           245 
      1  -0.778579D+01  0.213760D+02  0.318488D+02 -0.180605D+02  0.233913D+02
      2   0.176552D+02 -0.274238D+02 -0.979589D+01 -0.356849D+01 -0.232820D+02
      3  -0.986941D+01  0.604777D+01 -0.220529D+02  0.216290D+02 -0.109321D+00
      4   0.811031D+01 -0.338921D+01  0.127270D+02  0.324998D+02 -0.334162D+02
      5   0.202048D+02 -0.245869D+01  0.174328D+02  0.734095D+00  0.167938D+01
      6   0.177404D+02 -0.328695D+01  0.225286D+02  0.200573D+02  0.908278D-01
               246           247           248           249           250 
      1  -0.591639D+01 -0.931448D+02 -0.948817D+02  0.976961D+01  0.208981D+02
      2   0.343805D+01  0.828521D+02  0.701253D+02 -0.791653D+01 -0.157490D+02
      3   0.247833D+01  0.102927D+02  0.247563D+02 -0.185308D+01 -0.514903D+01
      4   0.134196D+01 -0.103960D+03 -0.149420D+03  0.182223D+02  0.154064D+02
      5  -0.251904D+02  0.126429D+02  0.136167D+02 -0.225348D+02 -0.719024D+01
      6  -0.849606D+01 -0.634785D+01 -0.391205D+01 -0.898536D+00  0.180856D+01
               251           252           253           254           255 
      1   0.138473D+02 -0.258467D+02 -0.214641D+02 -0.200816D+02 -0.175074D+00
      2  -0.715806D+01  0.128478D+02  0.223209D+02  0.134195D+02  0.287402D+01
      3  -0.668927D+01  0.129989D+02 -0.856813D+00  0.666212D+01 -0.269895D+01
      4   0.187151D+02 -0.277039D+02 -0.279464D+02 -0.316989D+02  0.440595D+01
      5  -0.253918D+02  0.107458D+02  0.193512D+00  0.186372D+01 -0.151189D+02
      6   0.133211D+02 -0.256942D+01 -0.136922D+01  0.309344D+01  0.101110D+02
               256           257           258           259           260 
      1   0.246860D+02  0.486784D+02 -0.101610D+02 -0.122813D+02 -0.221205D+01
      2  -0.448182D+02 -0.413516D+02  0.605409D+01  0.138252D+02 -0.287913D+01
      3   0.201322D+02 -0.732677D+01  0.410687D+01 -0.154391D+01  0.509119D+01
      4   0.624200D+02  0.182634D+02 -0.978327D+00 -0.724884D+01  0.110293D+02
      5  -0.108297D+02 -0.929401D+00 -0.362825D+01 -0.103226D+02  0.101481D+02
      6   0.129285D+02 -0.625755D+00 -0.817223D+01  0.113511D+02 -0.143920D+02
               261           262           263           264           265 
      1  -0.426964D+01  0.227153D+02  0.104004D+02 -0.111799D+02 -0.411132D+01
      2  -0.119468D+01 -0.123233D+02 -0.175612D+02  0.567921D+01  0.530486D+00
      3   0.546433D+01 -0.103920D+02  0.716075D+01  0.550074D+01  0.358084D+01
      4   0.151988D+02 -0.109089D+02  0.371905D+02  0.851751D+01  0.755417D+01
      5   0.120736D+01 -0.145334D+02  0.308657D+01  0.117483D+02  0.545868D+01
      6   0.101707D-01  0.117378D+02 -0.288252D+01 -0.842499D+01 -0.477342D+01
               266           267           268           269           270 
      1  -0.190112D+02 -0.281661D+01 -0.111049D+02 -0.165263D+02  0.315474D+00
      2   0.306147D+02  0.778301D+01  0.868359D+01  0.212798D+02  0.110109D+01
      3  -0.116035D+02 -0.496639D+01  0.242131D+01 -0.475351D+01 -0.141656D+01
      4  -0.382484D+02 -0.100952D+02  0.851502D+01 -0.329896D+02 -0.180271D+02
      5  -0.909787D+01 -0.539913D+01  0.166478D+02 -0.135588D+02 -0.290099D+02
      6   0.117182D+02  0.108442D+02 -0.136639D+02  0.185610D+02  0.277625D+02
               271           272           273           274           275 
      1  -0.160343D+02 -0.658875D+02  0.126627D+02  0.114813D+02 -0.860689D+01
      2   0.248455D+02  0.593447D+02 -0.836448D+01 -0.850428D+01  0.116130D+02
      3  -0.881120D+01  0.654274D+01 -0.429824D+01 -0.297706D+01 -0.300607D+01
      4  -0.460413D+02 -0.859387D+01  0.342345D+01  0.350764D+02  0.213745D+01
      5  -0.434691D+01  0.171306D+01  0.229682D+02  0.784825D+01  0.853382D+00
      6  -0.303464D+02 -0.341287D+01  0.117397D+02  0.168497D+02 -0.297047D+01
               276           277           278           279           280 
      1   0.112911D+01  0.271216D+01 -0.865931D+00 -0.763845D+01  0.325045D+02
      2  -0.188465D-02 -0.898963D+00  0.262639D+01  0.419756D+01 -0.242122D+02
      3  -0.112723D+01 -0.181320D+01 -0.176046D+01  0.344089D+01 -0.829229D+01
      4  -0.103071D+00 -0.388680D+01 -0.300972D+01 -0.157623D+01 -0.147343D+02
      5  -0.172384D+01 -0.617541D+01  0.219382D+01 -0.169378D+00  0.209942D+02
      6   0.407235D+01 -0.450251D+01  0.828315D+01 -0.209133D+01 -0.111173D+02
               281           282           283           284           285 
      1   0.139026D+02  0.825870D+01  0.424633D+01 -0.525565D+01  0.552621D+01
      2  -0.184221D+02 -0.546495D+01 -0.568183D+01  0.992350D+01 -0.767351D+01
      3   0.451943D+01 -0.279375D+01  0.143550D+01 -0.466786D+01  0.214730D+01
      4   0.373953D+02 -0.168028D+02  0.963157D+01 -0.189817D+02  0.108070D+02
      5  -0.992460D+01  0.195581D+02 -0.169258D+01  0.109286D+02 -0.180777D+01
      6   0.790443D+01 -0.109916D+02  0.325353D+01 -0.919316D+01  0.765299D+01
               286           287           288           289           290 
      1   0.115590D+02  0.102140D+02  0.122501D+01 -0.205746D+02 -0.230406D+02
      2  -0.144294D+02 -0.952979D+01 -0.918618D+01  0.222801D+02  0.241413D+02
      3   0.287039D+01 -0.684160D+00  0.796117D+01 -0.170552D+01 -0.110071D+01
      4  -0.100838D+02  0.214772D+02 -0.183303D+02  0.577331D+01  0.882032D+01
      5   0.217320D+02 -0.124012D+02  0.325197D+02 -0.676552D+00 -0.974724D+00
      6  -0.129643D+02  0.142876D+02 -0.251664D+02 -0.578070D+01 -0.481001D+01
               291           292           293           294           295 
      1   0.565663D+01 -0.122756D+02 -0.500436D+02  0.857662D+01  0.330645D+01
      2  -0.371962D+01  0.198304D+02  0.653708D+02 -0.837061D+01 -0.253053D+01
      3  -0.193701D+01 -0.755478D+01 -0.153272D+02 -0.206014D+00 -0.775925D+00
      4  -0.209217D+01 -0.516708D+00 -0.179242D+02  0.366671D+01 -0.849268D+00
      5   0.135652D+00 -0.269544D+00  0.329670D+01 -0.198012D+01 -0.125470D+01
      6   0.689208D+01 -0.384434D+01 -0.123492D+02  0.129856D+02  0.627854D+01
               296           297           298           299           300 
      1   0.839094D+01 -0.153970D+02 -0.205849D+02 -0.230392D+02 -0.565376D+01
      2  -0.616333D+01  0.126372D+02  0.222858D+02  0.241399D+02  0.371701D+01
      3  -0.222761D+01  0.275984D+01 -0.170087D+01 -0.110071D+01  0.193675D+01
      4   0.832544D+00 -0.224930D+01  0.578671D+01  0.881774D+01  0.208564D+01
      5  -0.627858D+01  0.307584D+01  0.682721D+00  0.966031D+00  0.134585D+00
      6   0.170875D+02 -0.976020D+01  0.578079D+01  0.480827D+01  0.689549D+01
               301           302           303           304           305 
      1  -0.122691D+02 -0.500169D+02 -0.858199D+01 -0.330860D+01 -0.839823D+01
      2   0.198238D+02  0.653281D+02  0.837178D+01  0.253041D+01  0.616898D+01
      3  -0.755476D+01 -0.153112D+02  0.210212D+00  0.778189D+00  0.222924D+01
      4  -0.511115D+00 -0.179017D+02 -0.366858D+01  0.849408D+00 -0.838162D+00
      5   0.270196D+00 -0.329721D+01 -0.196677D+01 -0.125604D+01 -0.627175D+01
      6   0.384127D+01  0.123581D+02  0.129925D+02  0.628398D+01  0.170859D+02
               306           307           308           309           310 
      1  -0.153977D+02  0.325265D+02  0.139033D+02 -0.826194D+01  0.423928D+01
      2   0.126348D+02 -0.242200D+02 -0.184245D+02  0.546338D+01 -0.567702D+01
      3   0.276291D+01 -0.830653D+01  0.452123D+01  0.279855D+01  0.143775D+01
      4  -0.224159D+01 -0.147500D+02  0.373953D+02  0.167995D+02  0.964260D+01
      5  -0.306981D+01 -0.210000D+02  0.992511D+01  0.195522D+02  0.170037D+01
      6   0.976963D+01  0.111179D+02 -0.790787D+01 -0.109939D+02 -0.325979D+01
               311           312           313           314           315 
      1  -0.526169D+01 -0.552941D+01 -0.115591D+02 -0.102089D+02  0.122581D+01
      2   0.993189D+01  0.767507D+01  0.144238D+02  0.952304D+01 -0.917390D+01
      3  -0.467020D+01 -0.214567D+01 -0.286475D+01  0.685836D+00  0.794809D+01
      4  -0.189930D+02 -0.108142D+02  0.100877D+02 -0.214642D+02 -0.183314D+02
      5  -0.109326D+02 -0.181904D+01  0.217286D+02 -0.124034D+02 -0.324949D+02
      6   0.920545D+01  0.765939D+01 -0.129632D+02  0.142940D+02  0.251581D+02
               316           317           318           319           320 
      1   0.408476D+02  0.248529D+02  0.947144D+01  0.266472D+02  0.175149D+02
      2  -0.129971D+02 -0.317675D+00 -0.412606D+01 -0.102528D+00  0.133830D+02
      3  -0.278504D+02 -0.245352D+02 -0.534538D+01 -0.265447D+02 -0.308979D+02
      4   0.502543D+02  0.523092D+02  0.138697D+02  0.575778D+02  0.713993D+02
      5   0.226339D+02  0.161386D+02  0.152921D+02  0.207341D+02  0.253319D+02
      6   0.142420D+02  0.139311D+02  0.758155D+01  0.171081D+02  0.232013D+02
               321           322           323           324           325 
      1   0.277405D+01 -0.324570D+00 -0.288158D+01 -0.602623D+00 -0.237517D+02
      2   0.125641D+01 -0.867102D+00  0.110403D+00  0.168665D+01  0.108494D+02
      3  -0.403046D+01  0.119167D+01  0.277117D+01 -0.108402D+01  0.129023D+02
      4   0.215008D+02  0.130223D+00  0.795478D+01  0.115269D+02  0.179922D+01
      5   0.178807D+02  0.860751D+01  0.115960D+02  0.778040D+01  0.567623D+01
      6   0.141263D+02  0.376918D+01  0.881625D+01  0.618830D+01  0.982249D+01
               326           327           328           329           330 
      1   0.185058D+02  0.304722D+02  0.682978D+01 -0.897277D+01 -0.105726D+02
      2  -0.935481D+01 -0.772007D+01 -0.282779D+01  0.630385D+01  0.701381D+01
      3  -0.915097D+01 -0.227522D+02 -0.400200D+01  0.266892D+01  0.355884D+01
      4  -0.922328D+00 -0.230803D+01  0.473567D+01  0.911110D+01  0.820730D+01
      5  -0.587598D+01 -0.187867D+02 -0.267667D+00  0.899052D+01  0.608594D+01
      6  -0.948042D+01 -0.180762D+02 -0.163450D+01  0.100406D+02  0.108813D+02
               331           332           333           334           335 
      1   0.160361D+02 -0.161170D+02 -0.356808D+02  0.162029D+03  0.336138D+01
      2  -0.375598D+01  0.709309D+01  0.411512D+01 -0.954918D+02 -0.953225D+00
      3  -0.122802D+02  0.902392D+01  0.315657D+02 -0.665376D+02 -0.240815D+01
      4   0.114316D+01  0.815644D+01  0.556921D+01  0.897805D+01  0.161954D+02
      5  -0.437938D+01  0.103054D+02  0.282854D+02  0.650585D+02 -0.235314D+01
      6  -0.760043D+01  0.143138D+02  0.232226D+02  0.175590D+01  0.312370D+01
               336           337           338           339           340 
      1   0.355881D+02  0.405798D+01  0.123519D+02 -0.407397D+01  0.178089D+02
      2  -0.271550D+02 -0.112599D+01 -0.500084D+01  0.163022D+01 -0.161164D+02
      3  -0.843302D+01 -0.293199D+01 -0.735108D+01  0.244375D+01 -0.169257D+01
      4  -0.303945D+01  0.191365D+02  0.303569D+01  0.904168D+00 -0.282487D+01
      5   0.417163D+02 -0.341484D+01  0.254331D+01  0.580319D+01  0.325133D+02
      6   0.273701D+01  0.337687D+01  0.722570D+00  0.400134D+01  0.294627D+01
               341           342           343           344           345 
      1  -0.384974D+01  0.243163D+02  0.548982D+01 -0.554779D+01  0.165120D+02
      2   0.292798D+01 -0.165111D+02 -0.628910D+01  0.114055D+00 -0.977875D+00
      3   0.921762D+00 -0.780525D+01  0.799277D+00  0.543373D+01 -0.155341D+02
      4  -0.334196D+01  0.581176D+01 -0.334145D+01 -0.578646D+01  0.566069D+01
      5   0.433851D+01  0.696074D+01  0.840933D+01  0.362340D+01 -0.120076D+02
      6   0.250561D+01 -0.103480D+01 -0.112421D+01 -0.257156D+01  0.107421D+01
               346           347           348           349           350 
      1  -0.748532D+01 -0.949570D+01  0.776068D+01  0.102500D+02  0.601905D+01
      2   0.555590D+01  0.381885D+00  0.754231D+01 -0.674515D+01  0.597069D+01
      3   0.192942D+01  0.911381D+01 -0.153030D+02 -0.350483D+01 -0.119897D+02
      4   0.814442D+00 -0.154992D+02  0.180431D+02 -0.336473D+01  0.149516D+02
      5  -0.574856D+01  0.156567D+02 -0.288068D+02  0.856245D+01 -0.205416D+02
      6   0.106281D+00 -0.678899D+01  0.854152D+01 -0.109062D+01  0.719244D+01
               351           352           353           354           355 
      1  -0.206992D+02  0.434209D+02 -0.284301D+02 -0.443842D+01 -0.345039D+02
      2  -0.169138D+02 -0.197112D+02  0.128204D+02  0.215107D+01  0.133309D+02
      3   0.376129D+02 -0.237097D+02  0.156097D+02  0.228735D+01  0.211730D+02
      4  -0.226879D+02 -0.369365D+02  0.275523D+02  0.425791D+01  0.377638D+02
      5   0.545309D+02 -0.535983D+01  0.396915D+01  0.113624D+02  0.471991D+01
      6  -0.766334D+01  0.152053D+01 -0.900513D+00 -0.114667D+01 -0.182438D+01
               356           357           358           359           360 
      1   0.205293D+02  0.336583D+01 -0.912577D+01  0.712911D+01  0.102491D+02
      2  -0.194538D+01 -0.102954D+01  0.425541D+01 -0.322332D+01 -0.689240D+01
      3  -0.185839D+02 -0.233629D+01  0.487036D+01 -0.390580D+01 -0.335670D+01
      4  -0.524739D+02 -0.653582D+01  0.972986D+01 -0.829133D+01 -0.849072D+01
      5  -0.580360D+01 -0.593499D+01  0.170460D+02 -0.776768D+01 -0.563416D+01
      6   0.108501D+01  0.334335D+01 -0.209866D+01  0.449577D+01  0.117209D+01
               361           362           363           364           365 
      1  -0.481294D+02 -0.186741D+02 -0.141002D+02 -0.195074D+02 -0.116430D+02
      2   0.220046D+02  0.104407D+02 -0.430908D+01  0.102236D+02  0.413712D+01
      3   0.261248D+02  0.823336D+01  0.184093D+02  0.928382D+01  0.750592D+01
      4  -0.204010D+02 -0.930292D+01  0.217521D+00 -0.625586D+01 -0.597755D+01
      5   0.210783D+02  0.104535D+02 -0.104577D+02  0.105682D+02 -0.155236D+01
      6   0.725187D+01  0.561605D+01  0.416767D+00  0.336091D+01  0.350362D+01
               366           367           368           369           370 
      1  -0.187512D+01 -0.448140D+01 -0.446965D+00 -0.967750D+01 -0.134266D+01
      2  -0.368508D+01 -0.267815D+01 -0.180286D+01  0.294132D+01 -0.201674D+01
      3   0.556019D+01  0.715955D+01  0.224982D+01  0.673618D+01  0.335940D+01
      4  -0.613804D+01  0.146389D+01 -0.388691D+01 -0.296887D+01  0.270970D+01
      5  -0.518437D+01 -0.337071D+01 -0.242514D+01  0.313881D+01 -0.853659D+01
      6   0.550917D+01  0.463666D+00  0.329607D+01  0.756117D+00 -0.322716D+01
               371           372           373           374           375 
      1   0.364342D+01 -0.858998D+01  0.449557D+01 -0.126927D+02  0.182274D+02
      2  -0.124315D+01  0.550782D+01 -0.472678D+01  0.337179D+01  0.702576D+01
      3  -0.240027D+01  0.308217D+01  0.231216D+00  0.932095D+01 -0.252532D+02
      4   0.409394D+01 -0.129563D+01  0.104821D+02  0.292323D+02 -0.246409D+02
      5  -0.120107D+01  0.104203D+02 -0.109888D+02 -0.261717D+02  0.396476D+02
      6  -0.140629D+01  0.197879D+00 -0.690529D+01 -0.258755D+02  0.275892D+02
               376           377           378           379           380 
      1  -0.596279D+01  0.117705D+02 -0.177323D+02  0.320325D+02 -0.163788D+02
      2   0.767391D+01  0.320852D+01 -0.133652D+02 -0.266563D+02  0.137680D+02
      3  -0.171112D+01 -0.149790D+02  0.310975D+02 -0.537624D+01  0.261080D+01
      4  -0.508385D+01 -0.176443D+02  0.210753D+02 -0.208618D+02  0.181888D+02
      5   0.157259D+02  0.215886D+02 -0.434088D+02 -0.374901D+02  0.207795D+02
      6   0.389438D+01  0.198046D+02 -0.247285D+02  0.956893D+01 -0.888864D+01
               381           382           383           384           385 
      1  -0.160817D+02 -0.240620D+02  0.102771D+02  0.103230D+02 -0.100195D+02
      2   0.221635D+02  0.203983D+02 -0.127646D+02 -0.188440D+02  0.156466D+02
      3  -0.608183D+01  0.366363D+01  0.248742D+01  0.852098D+01 -0.562706D+01
      4   0.148335D+02  0.222990D+02 -0.271415D+02 -0.241850D+02  0.988028D+01
      5   0.395028D+02  0.313992D+02 -0.284818D+02 -0.335144D+02  0.285121D+02
      6  -0.671907D+01 -0.114626D+02  0.139924D+02  0.152635D+02 -0.550051D+01
               386           387           388           389           390 
      1   0.461986D+01  0.843510D+01  0.439935D+02  0.574920D+01  0.198113D+02
      2  -0.884134D+01 -0.206041D+02 -0.196058D+02  0.736082D+00 -0.521793D+01
      3   0.422148D+01  0.121690D+02 -0.243877D+02 -0.648528D+01 -0.145934D+02
      4  -0.137255D+02 -0.129304D+02  0.134019D+02  0.126000D+02  0.167988D+02
      5  -0.155049D+02 -0.359723D+02  0.175446D+02  0.134110D+02  0.207137D+02
      6   0.985687D+01  0.759423D+01  0.453164D+01  0.285631D+01  0.545248D+01
               391           392           393           394           395 
      1   0.791158D+01  0.116042D+02  0.161476D+02  0.511726D+02  0.221955D+02
      2   0.123043D+01 -0.892930D+00 -0.359086D+01 -0.187574D+02 -0.494621D+01
      3  -0.914200D+01 -0.107112D+02 -0.125568D+02 -0.324152D+02 -0.172493D+02
      4   0.191556D+02  0.174232D+02  0.129568D+02  0.296096D+02  0.206864D+02
      5   0.146418D+02  0.900227D+01  0.823502D+01  0.209436D+02  0.946997D+01
      6   0.172538D+01  0.158876D+01  0.533093D+01  0.555083D+01  0.431540D+01
               396           397           398           399           400 
      1   0.222996D+02  0.105627D+03 -0.303002D+02 -0.286679D+02 -0.881568D+02
      2  -0.709320D+01 -0.637961D+02  0.193605D+02  0.205104D+02  0.537922D+02
      3  -0.152064D+02 -0.418310D+02  0.109396D+02  0.815754D+01  0.343646D+02
      4   0.137979D+02 -0.217384D+02  0.173518D+02  0.692918D+01  0.273887D+02
      5   0.499118D+02 -0.398686D+02  0.116424D+02  0.257124D+02  0.345390D+02
      6   0.101607D+02  0.284380D+01 -0.228811D+01  0.776372D+00 -0.437831D+01
               401           402           403           404           405 
      1   0.287239D+02  0.249676D+02 -0.402249D+02  0.108019D+02  0.260497D+02
      2  -0.187725D+02 -0.189848D+02  0.285389D+02 -0.927747D+01 -0.192931D+02
      3  -0.995145D+01 -0.598281D+01  0.116860D+02 -0.152439D+01 -0.675657D+01
      4  -0.243033D+02 -0.135405D+02  0.698832D+01 -0.122834D+02 -0.285205D+01
      5  -0.168589D+02 -0.202939D+02  0.372046D+02 -0.586251D+01 -0.232890D+02
      6   0.353036D+01  0.342197D+01  0.144067D+01  0.434028D+01 -0.200484D+00
               406           407           408           409           410 
      1   0.939616D+01  0.665722D+01 -0.986161D+01  0.215477D+02  0.748700D+01
      2  -0.396380D+01 -0.167279D+01  0.523113D+01 -0.562055D+01  0.976864D+01
      3  -0.543236D+01 -0.498443D+01  0.463048D+01 -0.159272D+02 -0.172556D+02
      4   0.888047D+01  0.104273D+02 -0.473597D+01  0.398850D+02  0.614578D+02
      5  -0.112073D+02 -0.429471D+01  0.880018D+01 -0.217050D+02 -0.364673D+02
      6  -0.445285D+01 -0.234043D+01  0.178492D+01 -0.127498D+02 -0.244154D+02
               411           412           413           414           415 
      1  -0.391407D+00 -0.250346D+02 -0.104957D+01  0.718942D+01 -0.270352D+02
      2  -0.264201D+01  0.136654D+02 -0.299304D+01 -0.608519D+01  0.281901D+02
      3   0.303342D+01  0.113692D+02  0.404261D+01 -0.110423D+01 -0.115495D+01
      4  -0.359156D+02 -0.229771D+02 -0.374060D+02  0.328644D+02 -0.409456D+01
      5   0.343570D+02  0.306802D+02  0.325788D+02 -0.388438D+02  0.743520D+01
      6   0.195760D+02  0.115039D+02  0.194594D+02 -0.192174D+02  0.665030D+01
               416           417           418           419           420 
      1   0.326090D+02  0.991403D+01  0.184413D+02 -0.297422D+02 -0.108593D+02
      2  -0.357471D+02 -0.118334D+02 -0.186995D+02  0.400542D+02  0.131105D+02
      3   0.313807D+01  0.191936D+01  0.258214D+00 -0.103121D+02 -0.225117D+01
      4  -0.589201D+00  0.141142D+01  0.442391D+01  0.965345D+01  0.277133D+01
      5  -0.680270D+01 -0.849457D+01 -0.503364D+01  0.881429D+01  0.415685D+01
      6  -0.546145D+01 -0.114781D+02 -0.461010D+01  0.778344D+01  0.729071D+01
               421           422           423           424           425 
      1   0.154448D+02 -0.225391D+02 -0.173509D+02  0.308449D+02  0.902900D+01
      2  -0.147554D+02  0.290874D+02  0.140751D+02  0.433436D+01  0.237971D+02
      3  -0.689438D+00 -0.654830D+01  0.327583D+01 -0.351792D+02 -0.328261D+02
      4   0.393130D+01  0.101108D+02 -0.445950D+00  0.590541D+02  0.622170D+02
      5  -0.753799D+01  0.770406D+01  0.793026D+01 -0.106013D+02 -0.102446D+02
      6  -0.932326D+01  0.104622D+02  0.102786D+02 -0.576888D+01 -0.957589D+01
               426           427           428           429           430 
      1  -0.254663D+00  0.960328D+01  0.133423D+00 -0.117706D+01  0.946103D+00
      2  -0.293054D+01  0.136256D+02  0.331619D+02 -0.739077D+00 -0.143818D+01
      3   0.318520D+01 -0.232289D+02 -0.332953D+02  0.191614D+01  0.492076D+00
      4  -0.808875D+01  0.443710D+02  0.605778D+02 -0.647550D+01 -0.252618D+01
      5   0.868394D+01 -0.771555D+01 -0.734005D+01  0.728124D+01  0.670234D+01
      6   0.729435D+01 -0.645336D+01 -0.831732D+01  0.753950D+01  0.504827D+01
               431           432           433           434           435 
      1  -0.179729D+01 -0.946721D+00 -0.120637D+02  0.121759D+02 -0.145795D+02
      2   0.276379D+01  0.260176D+01  0.706312D+01 -0.891595D+01  0.269568D+01
      3  -0.966498D+00 -0.165504D+01  0.500057D+01 -0.325994D+01  0.118839D+02
      4  -0.113781D+01  0.872951D+01 -0.195301D+00  0.145246D+01 -0.409190D+01
      5   0.839061D+01 -0.444308D+01 -0.320069D+01  0.124754D+01 -0.848503D+01
      6   0.885178D+01 -0.461920D+01 -0.734299D+01  0.476497D+01 -0.147277D+02
               436           437           438           439           440 
      1   0.207803D+01 -0.495140D+01  0.288100D+01 -0.124549D+02  0.169150D+02
      2  -0.151655D+01  0.269573D+01 -0.508796D+01  0.302962D+01 -0.149375D+02
      3  -0.561477D+00  0.225567D+01  0.220696D+01  0.942527D+01 -0.197756D+01
      4   0.142561D+01 -0.953850D+00 -0.436005D+01 -0.605274D+01 -0.106522D+02
      5  -0.133708D+01 -0.433744D+01  0.805344D+00 -0.289585D+01  0.105770D+02
      6   0.294686D+00 -0.478241D+01  0.599451D+01 -0.928917D+01  0.182284D+02
               441           442           443           444           445 
      1  -0.345668D+02 -0.138818D+01  0.366327D+01  0.859995D+01  0.449145D+01
      2   0.384735D+01 -0.197908D+01 -0.124593D+01 -0.545642D+01 -0.470318D+01
      3   0.307195D+02  0.336725D+01 -0.241734D+01 -0.314353D+01  0.211729D+00
      4   0.226857D+00  0.268856D+01  0.403621D+01  0.125711D+01  0.104073D+02
      5  -0.341928D+02  0.847604D+01  0.116375D+01  0.103090D+02  0.109064D+02
      6  -0.400482D+02  0.321705D+01  0.136757D+01  0.137262D+00  0.685583D+01
               446           447           448           449           450 
      1  -0.127896D+02 -0.183098D+02  0.595066D+01 -0.118368D+02 -0.177874D+02
      2   0.345394D+01 -0.700446D+01 -0.762436D+01 -0.316932D+01 -0.132484D+02
      3   0.933571D+01  0.253142D+02  0.167370D+01  0.150062D+02  0.310358D+02
      4   0.292431D+02  0.245887D+02  0.502246D+01  0.176139D+02  0.210390D+02
      5   0.261031D+02  0.395936D+02  0.156217D+02  0.215346D+02  0.432200D+02
      6   0.258894D+02  0.276084D+02  0.383780D+01  0.198182D+02  0.246883D+02
               451           452           453           454           455 
      1  -0.482110D+02 -0.187958D+02  0.139550D+02 -0.195849D+02 -0.117288D+02
      2   0.221118D+02  0.105617D+02  0.438129D+01  0.102897D+02  0.420105D+01
      3   0.260991D+02  0.823406D+01 -0.183363D+02  0.929520D+01  0.752779D+01
      4  -0.205412D+02 -0.946577D+01 -0.332915D+00 -0.634672D+01 -0.603516D+01
      5  -0.211963D+02 -0.105702D+02 -0.104969D+02 -0.106342D+02  0.150049D+01
      6  -0.726771D+01 -0.562444D+01  0.407093D+00 -0.337787D+01 -0.350526D+01
               456           457           458           459           460 
      1   0.183488D+01  0.419395D+01  0.230212D+00 -0.975079D+01  0.319565D+02
      2   0.372092D+01  0.289457D+01  0.198845D+01  0.306413D+01 -0.266402D+02
      3  -0.555579D+01 -0.708852D+01 -0.221866D+01  0.668666D+01 -0.531632D+01
      4   0.609788D+01 -0.169790D+01  0.368157D+01 -0.308984D+01 -0.207981D+02
      5  -0.522255D+01 -0.356534D+01 -0.259437D+01 -0.328098D+01  0.374980D+02
      6   0.550082D+01  0.447841D+00  0.328442D+01 -0.766457D+00 -0.955323D+01
               461           462           463           464           465 
      1  -0.163078D+02  0.160567D+02 -0.239642D+02  0.101908D+02 -0.102877D+02
      2   0.137451D+02 -0.221992D+02  0.203625D+02 -0.127370D+02  0.188660D+02
      3   0.256267D+01  0.614245D+01  0.360174D+01  0.254622D+01 -0.857828D+01
      4   0.181336D+02 -0.148375D+02  0.222199D+02 -0.270482D+02  0.241772D+02
      5  -0.207695D+02  0.395761D+02 -0.313749D+02  0.284542D+02 -0.335583D+02
      6   0.886826D+01 -0.672481D+01  0.114322D+02 -0.139557D+02  0.152695D+02
               466           467           468           469           470 
      1   0.100337D+02 -0.461327D+01  0.842377D+01  0.935209D+01  0.668145D+01
      2  -0.156958D+02  0.886311D+01 -0.206950D+02 -0.393823D+01 -0.169158D+01
      3   0.566212D+01 -0.424983D+01  0.122712D+02 -0.541387D+01 -0.498987D+01
      4  -0.989033D+01  0.137404D+02 -0.129666D+02  0.888693D+01  0.104106D+02
      5   0.285880D+02 -0.155450D+02  0.361348D+02  0.111913D+02  0.428351D+01
      6  -0.551003D+01  0.986697D+01 -0.761901D+01  0.445269D+01  0.233392D+01
               471           472           473           474           475 
      1   0.985311D+01  0.215716D+02  0.745423D+01  0.386433D+00  0.250011D+02
      2  -0.523006D+01 -0.565224D+01  0.976918D+01  0.263216D+01 -0.136707D+02
      3  -0.462305D+01 -0.159194D+02 -0.172234D+02 -0.301859D+01 -0.113304D+02
      4   0.472066D+01  0.398655D+02  0.614728D+02  0.359547D+02  0.229228D+02
      5   0.879987D+01  0.217240D+02  0.365046D+02  0.343913D+02  0.306846D+02
      6   0.177757D+01  0.127533D+02  0.244407D+02  0.195922D+02  0.115018D+02
               476           477           478           479           480 
      1   0.995926D+00  0.718708D+01  0.105273D+03 -0.302781D+02  0.286782D+02
      2   0.299848D+01 -0.611419D+01 -0.636185D+02  0.193525D+02 -0.205344D+02
      3  -0.399441D+01 -0.107288D+01 -0.416542D+02  0.109256D+02 -0.814383D+01
      4   0.373772D+02  0.328292D+02 -0.217748D+02  0.173468D+02 -0.697399D+01
      5   0.325402D+02  0.388203D+02  0.398855D+02 -0.116883D+02  0.257560D+02
      6   0.194592D+02  0.192193D+02 -0.286134D+01  0.229004D+01  0.762863D+00
               481           482           483           484           485 
      1  -0.880519D+02  0.287105D+02 -0.250402D+02  0.403249D+02 -0.108572D+02
      2   0.537562D+02 -0.187778D+02  0.190519D+02 -0.286275D+02  0.931971D+01
      3   0.342957D+02 -0.993273D+01  0.598831D+01 -0.116973D+02  0.153751D+01
      4   0.274166D+02 -0.243394D+02  0.136038D+02 -0.704432D+01  0.123185D+02
      5  -0.346451D+02  0.169253D+02 -0.203874D+02  0.373179D+02 -0.592713D+01
      6   0.439303D+01 -0.354975D+01  0.343926D+01  0.143813D+01  0.434960D+01
               486           487           488           489           490 
      1   0.261312D+02  0.429718D+02  0.576775D+01 -0.210140D+02  0.818437D+01
      2  -0.193793D+02 -0.190804D+02  0.727172D+00  0.576798D+01  0.107932D+01
      3  -0.675193D+01 -0.238914D+02 -0.649493D+01  0.152460D+02 -0.926369D+01
      4  -0.290282D+01  0.131923D+02  0.125892D+02 -0.171743D+02  0.191516D+02
      5   0.234168D+02 -0.184661D+02 -0.135531D+02  0.198430D+02 -0.145623D+02
      6   0.200403D+00 -0.483133D+01 -0.287019D+01  0.517837D+01 -0.165995D+01
               491           492           493           494           495 
      1   0.115499D+02 -0.160500D+02 -0.524198D+02 -0.222960D+02  0.212118D+02
      2  -0.896429D+00  0.352265D+01  0.193533D+02  0.498945D+01 -0.662211D+01
      3  -0.106535D+02  0.125274D+02  0.330665D+02  0.173066D+02 -0.145897D+02
      4   0.173167D+02 -0.130029D+02 -0.299116D+02 -0.207435D+02  0.132646D+02
      5  -0.908035D+01  0.803012D+01  0.200321D+02  0.914843D+01 -0.509242D+02
      6  -0.158777D+01  0.532739D+01  0.525332D+01  0.425456D+01 -0.104126D+02
               496           497           498           499           500 
      1   0.162472D+03  0.348515D+01 -0.350570D+02  0.421369D+01  0.125870D+02
      2  -0.956258D+02 -0.959118D+00  0.269620D+02 -0.114840D+01 -0.506837D+01
      3  -0.668458D+02 -0.252604D+01  0.809498D+01 -0.306529D+01 -0.751862D+01
      4   0.907000D+01  0.164074D+02  0.353757D+01  0.193664D+02  0.323516D+01
      5  -0.645400D+02  0.279298D+01  0.424612D+02  0.386571D+01 -0.211268D+01
      6  -0.166445D+01 -0.306117D+01  0.283658D+01 -0.330750D+01 -0.655036D+00
               501           502           503           504           505 
      1   0.457176D+01 -0.172739D+02  0.423958D+01  0.250463D+02  0.551065D+01
      2  -0.176780D+01  0.159004D+02 -0.304140D+01 -0.166537D+02 -0.629374D+01
      3  -0.280395D+01  0.137344D+01 -0.119818D+01 -0.839267D+01  0.783089D+00
      4  -0.405039D+00  0.323394D+01  0.373093D+01  0.658557D+01 -0.337511D+01
      5   0.667332D+01  0.330861D+02  0.500025D+01 -0.538984D+01 -0.842639D+01
      6   0.412216D+01  0.302207D+01  0.259196D+01  0.125513D+01  0.112697D+01
               506           507           508           509           510 
      1  -0.557658D+01 -0.165046D+02 -0.750472D+01 -0.948245D+01 -0.772780D+01
      2   0.135010D+00  0.991486D+00  0.557624D+01  0.377212D+00 -0.754938D+01
      3   0.544157D+01  0.155131D+02  0.192848D+01  0.910524D+01  0.152772D+02
      4  -0.579503D+01 -0.566935D+01  0.835760D+00 -0.155232D+02 -0.180681D+02
      5  -0.363220D+01 -0.120444D+02  0.577817D+01 -0.156878D+02 -0.288378D+02
      6   0.256450D+01  0.106506D+01 -0.115059D+00  0.679397D+01  0.855074D+01
               511           512           513           514           515 
      1  -0.102218D+02 -0.598707D+01 -0.206496D+02 -0.236267D+02  0.184899D+02
      2   0.675000D+01 -0.599165D+01 -0.169325D+02  0.107880D+02 -0.934001D+01
      3   0.347177D+01  0.119787D+02  0.375821D+02  0.128387D+02 -0.914985D+01
      4   0.340551D+01 -0.149761D+02 -0.227151D+02  0.183084D+01 -0.931061D+00
      5   0.860847D+01 -0.205794D+02 -0.545994D+02 -0.564053D+01  0.588733D+01
      6  -0.109949D+01  0.720404D+01  0.768394D+01 -0.978474D+01  0.947311D+01
               516           517           518           519           520 
      1  -0.304090D+02  0.688424D+01 -0.896987D+01  0.106328D+02 -0.160275D+02
      2   0.767893D+01 -0.285224D+01  0.629301D+01 -0.703573D+01  0.375435D+01
      3   0.227300D+02 -0.403200D+01  0.267686D+01 -0.359703D+01  0.122731D+02
      4   0.233807D+01  0.475061D+01  0.911641D+01 -0.821815D+01 -0.113097D+01
      5  -0.187888D+02  0.301583D+00 -0.901187D+01  0.614934D+01 -0.438180D+01
      6  -0.180590D+02  0.164017D+01 -0.100451D+02  0.109126D+02 -0.758830D+01
               521           522           523           524           525 
      1   0.161389D+02 -0.357486D+02  0.414510D+02  0.248920D+02 -0.906471D+01
      2  -0.708912D+01  0.410310D+01 -0.133012D+02 -0.339161D+00  0.391910D+01
      3  -0.904975D+01  0.316455D+02 -0.281498D+02 -0.245528D+02  0.514560D+01
      4  -0.817889D+01  0.561323D+01  0.503994D+02  0.523377D+02 -0.137919D+02
      5   0.103513D+02 -0.284307D+02 -0.223318D+02 -0.161516D+02  0.155928D+02
      6   0.143354D+02 -0.232869D+02 -0.141201D+02 -0.139266D+02  0.768164D+01
               526           527           528           529           530 
      1   0.266201D+02  0.176018D+02 -0.288985D+01  0.750892D+00  0.286573D+01
      2  -0.920302D-01  0.133073D+02 -0.118360D+01  0.653821D+00 -0.890907D-01
      3  -0.265281D+02 -0.309091D+02  0.407345D+01 -0.140471D+01 -0.277664D+01
      4   0.575898D+02  0.713560D+02 -0.214910D+02 -0.383780D-01 -0.790750D+01
      5  -0.208130D+02 -0.253052D+02  0.178198D+02  0.886897D+01  0.115805D+02
      6  -0.171228D+02 -0.231505D+02  0.140809D+02  0.385870D+01  0.879233D+01
               531           532           533           534           535 
      1  -0.243019D+00  0.433208D+02 -0.282428D+02  0.444977D+01 -0.343691D+02
      2   0.150064D+01 -0.196765D+02  0.126244D+02 -0.215667D+01  0.132090D+02
      3  -0.125762D+01 -0.236442D+02  0.156184D+02 -0.229310D+01  0.211601D+02
      4   0.115871D+02 -0.368446D+02  0.277904D+02 -0.427548D+01  0.378633D+02
      5  -0.752832D+01  0.538192D+01 -0.398003D+01  0.113573D+02 -0.475067D+01
      6  -0.608815D+01 -0.152777D+01  0.931104D+00 -0.114812D+01  0.185249D+01
               536           537           538           539           540 
      1   0.208132D+02 -0.337422D+01  0.911435D+01 -0.718755D+01  0.102436D+02
      2  -0.227979D+01  0.102823D+01 -0.424231D+01  0.328337D+01 -0.688929D+01
      3  -0.185334D+02  0.234600D+01 -0.487204D+01  0.390418D+01 -0.335430D+01
      4  -0.520272D+02  0.658514D+01 -0.977881D+01  0.826397D+01 -0.851150D+01
      5   0.587224D+01 -0.595705D+01  0.170499D+02 -0.779225D+01  0.568057D+01
      6  -0.106587D+01  0.335482D+01 -0.210644D+01  0.449403D+01 -0.118102D+01
               541           542           543           544           545 
      1   0.309586D+02  0.902775D+01  0.282489D+00  0.958139D+01  0.219868D+00
      2   0.426116D+01  0.238028D+02  0.292004D+01  0.136392D+02  0.330528D+02
      3  -0.352198D+02 -0.328306D+02 -0.320253D+01 -0.232206D+02 -0.332727D+02
      4   0.591006D+02  0.622544D+02  0.811113D+01  0.443895D+02  0.605219D+02
      5   0.106314D+02  0.102403D+02  0.869429D+01  0.770962D+01  0.734501D+01
      6   0.577953D+01  0.958045D+01  0.729192D+01  0.646206D+01  0.830320D+01
               546           547           548           549           550 
      1   0.118091D+01 -0.909898D+00  0.179036D+01 -0.943911D+00 -0.269650D+02
      2   0.740923D+00  0.142921D+01 -0.273293D+01  0.260710D+01  0.281222D+02
      3  -0.192183D+01 -0.519308D+00  0.942570D+00 -0.166319D+01 -0.115716D+01
      4   0.648976D+01  0.256695D+01  0.118616D+01  0.873706D+01 -0.404099D+01
      5   0.728170D+01  0.671678D+01  0.839925D+01  0.445294D+01 -0.741501D+01
      6   0.753826D+01  0.504902D+01  0.886330D+01  0.462516D+01 -0.666069D+01
               551           552           553           554           555 
      1   0.325960D+02 -0.994290D+01  0.184194D+02 -0.297696D+02  0.109017D+02
      2  -0.357328D+02  0.118606D+02 -0.186769D+02  0.400942D+02 -0.131632D+02
      3   0.313681D+01 -0.191774D+01  0.257498D+00 -0.103247D+02  0.226150D+01
      4  -0.611358D+00 -0.139190D+01  0.440679D+01  0.969678D+01 -0.279669D+01
      5   0.681483D+01 -0.850830D+01  0.503089D+01 -0.884487D+01  0.418646D+01
      6   0.549735D+01 -0.114928D+02  0.462282D+01 -0.783603D+01  0.732683D+01
               556           557           558           559           560 
      1  -0.154457D+02  0.226020D+02 -0.174056D+02 -0.120997D+02  0.122237D+02
      2   0.147555D+02 -0.291645D+02  0.141329D+02  0.708676D+01 -0.896848D+01
      3   0.690195D+00  0.656250D+01  0.327263D+01  0.501298D+01 -0.325527D+01
      4  -0.392130D+01 -0.101617D+02 -0.417109D+00 -0.209486D+00  0.142280D+01
      5  -0.754407D+01  0.774498D+01 -0.798082D+01  0.320908D+01 -0.125975D+01
      6  -0.933565D+01  0.105198D+02 -0.103414D+02  0.736753D+01 -0.478830D+01
               561           562           563           564           565 
      1   0.146115D+02  0.209987D+01 -0.499281D+01 -0.290309D+01  0.124738D+02
      2  -0.272393D+01 -0.153614D+01  0.273221D+01  0.510671D+01 -0.304176D+01
      3  -0.118876D+02 -0.563731D+00  0.226060D+01 -0.220361D+01 -0.943207D+01
      4   0.409683D+01  0.141711D+01 -0.939678D+00  0.436348D+01  0.606512D+01
      5  -0.851421D+01  0.133359D+01  0.434411D+01  0.814530D+00 -0.292396D+01
      6  -0.147632D+02 -0.310840D+00  0.480765D+01  0.601076D+01 -0.931472D+01
               566           567 
      1  -0.169164D+02 -0.345547D+02
      2   0.149630D+02  0.389507D+01
      3   0.195345D+01  0.306596D+02
      4   0.106533D+02  0.199460D+00
      5   0.105657D+02  0.341418D+02
      6   0.182185D+02  0.399923D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.614306D-03      0.156141D-02      0.520830D-02
   y         -0.578048D-03     -0.146925D-02     -0.490090D-02
   z          0.281598D+00      0.715751D+00      0.238749D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422617D+03      0.626253D+02      0.696801D+02
   yx         0.295664D+02      0.438129D+01      0.487484D+01
   yy         0.316040D+03      0.468322D+02      0.521079D+02
   zx         0.819783D-03      0.121479D-03      0.135164D-03
   zy        -0.159480D-02     -0.236325D-03     -0.262947D-03
   zz         0.242463D+03      0.359293D+02      0.399768D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.344198D+03      0.510048D+02      0.567505D+02
   aniso      0.171987D+03      0.254859D+02      0.283569D+02
   xx         0.439428D+03      0.651166D+02      0.724520D+02
   yx         0.342641D+02      0.507742D+01      0.564939D+01
   yy         0.339990D+03      0.503813D+02      0.560567D+02
   zx         0.329874D-02      0.488823D-03      0.543889D-03
   zy        -0.216315D-02     -0.320546D-03     -0.356656D-03
   zz         0.253175D+03      0.375167D+02      0.417429D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          9.64193809          0.82634766         -2.67997633
     6          8.94131852         -0.45499251         -0.14137286
     6          6.09283864         -0.78194421         -0.18776795
     6          5.07478853          1.67941234          0.10391655
     6          7.28929933          3.49088855          0.33087119
     6          8.43184582          3.48369920         -2.39967293
     6          9.21528522          1.76187317          1.78326169
     8          2.80682065          2.36898848          0.11452140
    29          0.00064734          0.00075544         -0.21011595
     8          2.18531223         -2.92433103         -0.52426852
     6          4.58751585         -2.87236453         -0.50560052
     6          5.85616276         -5.47418362         -0.81949155
     9          7.07700847         -6.14521292          1.32068438
     6          6.65944760          6.06744584          1.38106303
     6         11.87949240          2.86175388          1.95332984
     6          8.36441631          1.07745601          4.46014675
     8         -2.80607520         -2.36644341          0.11635333
     6         -5.07426084         -1.67805281          0.09164855
     6         -7.28871676         -3.48989700          0.31511114
     6         -9.22395967         -1.75596462          1.74872517
     6         -8.94076551          0.45261057         -0.18402389
     6         -6.09214815          0.78139078         -0.21624144
     6         -9.62592075         -0.84040346         -2.72110672
     6         -8.41578663         -3.49569449         -2.42201596
     6         -8.38909951         -1.05880964          4.42740784
     6        -11.88832095         -2.85706783          1.90830827
     6         -6.66267123         -6.06106854          1.38044082
     6         -4.58616759          2.87110693         -0.53604024
     6         -5.85426001          5.47103349         -0.86700849
     9         -7.08554856          6.15072730          1.26439914
     8         -2.18389664          2.92401297         -0.54390400
     9         -7.58201617          5.41609351         -2.74498484
     9         -4.19473806          7.28194012         -1.40604087
     9          4.19855265         -7.28677068         -1.35868876
     9          7.59290940         -5.42799345         -2.68940148
     1         -9.80889801         -5.00456485         -2.57462559
     1         -6.95404112         -3.87868897         -3.82111978
     1        -11.66505777         -0.95967859         -2.97975923
     1         -8.86030024          0.20698807         -4.31605956
     1        -10.02497905          2.14256562          0.24453893
     1         -6.48630852         -0.27758800          4.49743944
     1         -8.44206073         -2.71425839          5.65642529
     1         -9.66974274          0.34837240          5.22517455
     1        -12.62657273         -3.50695050          0.10463919
     1        -13.18944659         -1.43249993          2.64177765
     1        -11.92609365         -4.45461638          3.21227947
     1         -5.24512988         -7.00349250          0.21907062
     1         -8.34453426         -7.25182375          1.44010907
     1         -5.89773364         -5.91784532          3.28902073
     1          8.40795932          2.73935816          5.68080194
     1          6.46199714          0.29467582          4.52199618
     1          9.64135851         -0.32432567          5.27317443
     1         11.91082614          4.46527046          3.25014951
     1         13.17503788          1.43954242          2.70105901
     1         12.62912907          3.50265102          0.15112056
     1         11.68263767          0.94332600         -2.92709938
     1          8.88502006         -0.22771994         -4.27469273
     1          6.97832207          3.86133360         -3.80875382
     1          9.82669699          4.99113155         -2.55081817
     1         10.02169567         -2.14393503          0.30076042
     1          8.34211241          7.25694305          1.44502744
     1          5.24958757          7.00594167          0.20720718
     1          5.88328682          5.93364335          3.28576877

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.281600D+00      0.715755D+00      0.238750D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422616D+03      0.626252D+02      0.696800D+02
   yx         0.295668D+02      0.438135D+01      0.487491D+01
   yy         0.316039D+03      0.468322D+02      0.521078D+02
   zx         0.333130D+00      0.493647D-01      0.549256D-01
   zy        -0.881275D-01     -0.130592D-01     -0.145303D-01
   zz         0.242464D+03      0.359295D+02      0.399769D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.344198D+03      0.510048D+02      0.567505D+02
   aniso      0.171987D+03      0.254859D+02      0.283569D+02
   xx         0.439428D+03      0.651165D+02      0.724518D+02
   yx         0.342646D+02      0.507749D+01      0.564947D+01
   yy         0.339990D+03      0.503813D+02      0.560567D+02
   zx         0.339272D+00      0.502749D-01      0.559384D-01
   zy        -0.105623D+00     -0.156517D-01     -0.174148D-01
   zz         0.253176D+03      0.375168D+02      0.417431D+02

 ----------------------------------------------------------------------
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 GOD DOES NOT PLAY WITH DICE.
               -- A. EINSTEIN
 Job cpu time:      15 days 13 hours 57 minutes 23.5 seconds.
 Elapsed time:       1 days 23 hours  0 minutes 12.4 seconds.
 File lengths (MBytes):  RWF=   7803 Int=      0 D2E=      0 Chk=    138 Scr=      2
 Normal termination of Gaussian 16 at Sun Aug 29 15:18:45 2021.
